7-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[3-(2-chloroethylsulfonyl)anilino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[[3-(2-chloroethylsulfonyl)phenyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C19H17ClN2O7S2 MolecularWeight: 484.93048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCCl)NC(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C19H17ClN2O7S2/c20-6-7-30(25,26)15-3-1-2-13(10-15)21-19(24)22-14-4-5-17-12(8-14)9-16(11-18(17)23)31(27,28)29/h1-5,8-11,23H,6-7H2,(H2,21,22,24)(H,27,28,29)