4-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 4-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O5S/c25-21(23-20-12-10-18(11-13-20)22(26)27)19-9-4-14-24(16-19)30(28,29)15-5-8-17-6-2-1-3-7-17/h1-3,6-7,10-13,19H,4-5,8-9,14-16H2,(H,23,25)(H,26,27)