2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioic acid

Systemtic Name: 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioic acid Openeye Name: 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioic acid CAS Name: 2-[[3-[(4-carbamimidoylanilino)-oxomethyl]phenyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[3-[(4-carbamimidoylphenyl)carbamoyl]phenyl]sulfonylamino]butanedioic acid Traditional Name: 2-[[3-[(4-amidinophenyl)carbamoyl]phenyl]sulfonylamino]succinic acid Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC(CC(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC(CC(=O)O)C(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H18N4O7S/c19-16(20)10-4-6-12(7-5-10)21-17(25)11-2-1-3-13(8-11)30(28,29)22-14(18(26)27)9-15(23)24/h1-8,14,22H,9H2,(H3,19,20)(H,21,25)(H,23,24)(H,26,27)