5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-(benzylamino)-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H26N2O4S/c1-15-10-16(2)14-23(13-15)28(26,27)18-8-9-20(19(11-18)21(24)25)22-12-17-6-4-3-5-7-17/h3-9,11,15-16,22H,10,12-14H2,1-2H3,(H,24,25)