4-(6-chloranylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-N-(2-ethylsulfanylethyl)-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]-6-oxo-piperazine-2-carboxamide CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-N-[2-(ethylthio)ethyl]-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazine-2-carboxamide Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-N-[2-(ethylthio)ethyl]-6-keto-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxamide Formula: C30H37ClN6O4S2 MolecularWeight: 645.23558

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1CN(CC(=O)N1N(C)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCSCCNC(=O)C1CN(CC(=O)N1N(C)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H37ClN6O4S2/c1-3-42-17-14-33-30(39)28-20-36(43(40,41)27-7-5-22-18-24(31)6-4-23(22)19-27)21-29(38)37(28)34(2)25-10-15-35(16-11-25)26-8-12-32-13-9-26/h4-9,12-13,18-19,25,28H,3,10-11,14-17,20-21H2,1-2H3,(H,33,39)