4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]amino]benzoic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25N3O5S/c1-15-5-10-18(30(28,29)24-11-3-2-4-12-24)13-19(15)23-20(25)14-22-17-8-6-16(7-9-17)21(26)27/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,23,25)(H,26,27)