methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylate dihydrochloride

Systemtic Name: methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylate dihydrochloride Openeye Name: methyl 4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylate dihydrochloride CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylate dihydrochloride Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid methyl ester dihydrochloride Formula: C26H30Cl3N5O5S MolecularWeight: 630.9709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl.Cl

Isomeric SMILES

COC(=O)C1CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.Cl.Cl

InChI

InChI=1S/C26H28ClN5O5S.2ClH/c1-37-26(34)24-16-31(38(35,36)23-5-3-18-14-20(27)4-2-19(18)15-23)17-25(33)32(24)29-21-8-12-30(13-9-21)22-6-10-28-11-7-22;;/h2-7,10-11,14-15,21,24,29H,8-9,12-13,16-17H2,1H3;2*1H