3-[1-[methyl(phenylsulfonyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoic acid

Systemtic Name: 3-[1-[methyl(phenylsulfonyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoic acid Openeye Name: 3-[1-[[benzenesulfonyl(methyl)amino]methyl]-3-(4-phenyl-1-piperidyl)propyl]benzoic acid CAS Name: 3-[1-[benzenesulfonyl(methyl)amino]-4-(4-phenyl-1-piperidinyl)butan-2-yl]benzoic acid IUPAC Name: 3-[1-[benzenesulfonyl(methyl)amino]-4-(4-phenylpiperidin-1-yl)butan-2-yl]benzoic acid Traditional Name: 3-[1-[[besyl(methyl)amino]methyl]-3-(4-phenylpiperidino)propyl]benzoic acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4S/c1-30(36(34,35)28-13-6-3-7-14-28)22-27(25-11-8-12-26(21-25)29(32)33)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,27H,15-20,22H2,1H3,(H,32,33)