2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid; 8-phenylazanylnaphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]benzenesulfonic acid; 8-phenylazanylnaphthalene-1-sulfonic acid Openeye Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid; 8-anilinonaphthalene-1-sulfonic acid CAS Name: 2-amino-4-[[[4-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]benzenesulfonic acid; 8-anilino-1-naphthalenesulfonic acid IUPAC Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]benzenesulfonic acid; 8-anilinonaphthalene-1-sulfonic acid Traditional Name: 2-amino-4-[[4-(2-chloroethylsulfonylmethyl)benzoyl]amino]besylic acid; 8-anilinonaphthalene-1-sulfonic acid Formula: C32H30ClN3O9S3 MolecularWeight: 732.2433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O.C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O.C1=CC(=CC=C1CS(=O)(=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C16H17ClN2O6S2.C16H13NO3S/c17-7-8-26(21,22)10-11-1-3-12(4-2-11)16(20)19-13-5-6-15(14(18)9-13)27(23,24)25;18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-6,9H,7-8,10,18H2,(H,19,20)(H,23,24,25);1-11,17H,(H,18,19,20)