4-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]butyric acid Formula: C18H21ClN2O7S2 MolecularWeight: 476.95154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCCC(=O)O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCCC(=O)O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O7S2/c1-21(30(26,27)14-7-5-13(19)6-8-14)16-12-15(9-10-17(16)28-2)29(24,25)20-11-3-4-18(22)23/h5-10,12,20H,3-4,11H2,1-2H3,(H,22,23)