methyl 2-[4-[[2-(azepan-1-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[2-(azepan-1-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[2-(azepan-1-yl)phenyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[2-(1-azepanyl)anilino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(azepan-1-yl)phenyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[2-(azepan-1-yl)phenyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C26H33N3O5S/c1-34-26(31)21-10-4-7-13-24(21)35(32,33)29-18-14-20(15-19-29)25(30)27-22-11-5-6-12-23(22)28-16-8-2-3-9-17-28/h4-7,10-13,20H,2-3,8-9,14-19H2,1H3,(H,27,30)