2-[[3-methyl-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-3-methyl-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-3-methyl-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]anilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-3-methyl-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid Traditional Name: 2-[N-besyl-3-methyl-4-[(4-piperazinobenzoyl)amino]anilino]acetic acid Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C26H28N4O5S/c1-19-17-22(30(18-25(31)32)36(34,35)23-5-3-2-4-6-23)11-12-24(19)28-26(33)20-7-9-21(10-8-20)29-15-13-27-14-16-29/h2-12,17,27H,13-16,18H2,1H3,(H,28,33)(H,31,32)