2-[(phenylmethyl)-[4-[(4-piperazin-1-ylphenyl)carbamoyl]phenyl]amino]-2-sulfonyl-ethanoic acid

Systemtic Name: 2-[(phenylmethyl)-[4-[(4-piperazin-1-ylphenyl)carbamoyl]phenyl]amino]-2-sulfonyl-ethanoic acid Openeye Name: 2-[N-benzyl-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]-2-sulfonyl-acetic acid CAS Name: 2-[4-[oxo-[4-(1-piperazinyl)anilino]methyl]-N-(phenylmethyl)anilino]-2-sulfonylacetic acid IUPAC Name: 2-[N-benzyl-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]-2-sulfonylacetic acid Traditional Name: 2-[N-benzyl-4-[(4-piperazinophenyl)carbamoyl]anilino]-2-sulfonyl-acetic acid Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)C(=S(=O)=O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)C(=S(=O)=O)C(=O)O

InChI

InChI=1S/C26H26N4O5S/c31-24(28-21-8-12-22(13-9-21)29-16-14-27-15-17-29)20-6-10-23(11-7-20)30(25(26(32)33)36(34)35)18-19-4-2-1-3-5-19/h1-13,27H,14-18H2,(H,28,31)(H,32,33)