[4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)-2-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinyl]methyl ester IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)-2-piperidyl]methyl ester Formula: C33H35ClN4O6S2 MolecularWeight: 683.2372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(CCN2C3=CC=NC=C3)(CN4CCNCC4=O)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(CCN2C3=CC=NC=C3)(CN4CCNCC4=O)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C33H35ClN4O6S2/c1-24-2-7-30(8-3-24)46(42,43)44-22-29-20-33(23-37-17-15-36-21-32(37)39,12-16-38(29)28-10-13-35-14-11-28)45(40,41)31-9-5-25-18-27(34)6-4-26(25)19-31/h2-11,13-14,18-19,29,36H,12,15-17,20-23H2,1H3