ethyl 1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazin-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]-6-oxo-piperazine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-6-oxo-2-piperazinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carbonyl]isonipecotic acid ethyl ester Formula: C34H41ClN6O6S MolecularWeight: 697.24394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CN(CC(=O)N2N(C)C3CCN(CC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CN(CC(=O)N2N(C)C3CCN(CC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C34H41ClN6O6S/c1-3-47-34(44)24-10-16-39(17-11-24)33(43)31-22-40(48(45,46)30-7-5-25-20-27(35)6-4-26(25)21-30)23-32(42)41(31)37(2)28-12-18-38(19-13-28)29-8-14-36-15-9-29/h4-9,14-15,20-21,24,28,31H,3,10-13,16-19,22-23H2,1-2H3