1-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]amino]-2-(1-sulfoethylamino)ethanesulfonic acid

Systemtic Name: 1-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]amino]-2-(1-sulfoethylamino)ethanesulfonic acid Openeye Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-2-(1-sulfoethylamino)ethanesulfonic acid CAS Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-2-(1-sulfoethylamino)ethanesulfonic acid IUPAC Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-2-(1-sulfoethylamino)ethanesulfonic acid Traditional Name: 1-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-2-(1-sulfoethylamino)ethanesulfonic acid Formula: C17H23N3O9S3 MolecularWeight: 509.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(NCC(NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H23N3O9S3/c1-12(31(23,24)25)18-11-17(32(26,27)28)19-13-5-9-16(10-6-13)30(21,22)20-14-3-7-15(29-2)8-4-14/h3-10,12,17-20H,11H2,1-2H3,(H,23,24,25)(H,26,27,28)