4-azanyl-7-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-3-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-7-[[3-(2-chloroethylsulfonylmethyl)phenyl]carbonylamino]-3-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-amino-7-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-3-hydroxy-naphthalene-1-sulfonic acid CAS Name: 4-amino-7-[[[3-(2-chloroethylsulfonylmethyl)phenyl]-oxomethyl]amino]-3-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 4-amino-7-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-3-hydroxynaphthalene-1-sulfonic acid Traditional Name: 4-amino-7-[[3-(2-chloroethylsulfonylmethyl)benzoyl]amino]-3-hydroxy-naphthalene-1-sulfonic acid Formula: C20H19ClN2O7S2 MolecularWeight: 498.95706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C(=C3C=C2)N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CS(=O)(=O)CCCl)C(=O)NC2=CC3=C(C=C(C(=C3C=C2)N)O)S(=O)(=O)O

InChI

InChI=1S/C20H19ClN2O7S2/c21-6-7-31(26,27)11-12-2-1-3-13(8-12)20(25)23-14-4-5-15-16(9-14)18(32(28,29)30)10-17(24)19(15)22/h1-5,8-10,24H,6-7,11,22H2,(H,23,25)(H,28,29,30)