2-[(phenylmethyl)amino]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[(phenylmethyl)amino]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(benzylamino)-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[(phenylmethyl)amino]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-(benzylamino)-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(benzylamino)-5-piperidinosulfonyl-benzoic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O4S/c22-19(23)17-13-16(26(24,25)21-11-5-2-6-12-21)9-10-18(17)20-14-15-7-3-1-4-8-15/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,22,23)