[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C27H33ClN2O5S MolecularWeight: 533.07932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H33ClN2O5S/c28-24-11-10-23(19-25(24)36(33,34)30-14-6-1-2-7-15-30)27(32)35-20-26(31)29-16-12-22(13-17-29)18-21-8-4-3-5-9-21/h3-5,8-11,19,22H,1-2,6-7,12-18,20H2