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

Systemtic Name: 2-[bromanyl-[4-[(4-piperazin-1-ylphenyl)carbamoyl]phenyl]amino]-2-sulfonyl-ethanoic acid Openeye Name: 2-[N-bromo-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]-2-sulfonyl-acetic acid CAS Name: 2-[N-bromo-4-[oxo-[4-(1-piperazinyl)anilino]methyl]anilino]-2-sulfonylacetic acid IUPAC Name: 2-[N-bromo-4-[(4-piperazin-1-ylphenyl)carbamoyl]anilino]-2-sulfonylacetic acid Traditional Name: 2-[N-bromo-4-[(4-piperazinophenyl)carbamoyl]anilino]-2-sulfonyl-acetic acid Formula: C19H19BrN4O5S MolecularWeight: 495.34696

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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(C(=S(=O)=O)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O5S/c20-24(18(19(26)27)30(28)29)16-5-1-13(2-6-16)17(25)22-14-3-7-15(8-4-14)23-11-9-21-10-12-23/h1-8,21H,9-12H2,(H,22,25)(H,26,27)