5-[aminocarbonyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-[aminocarbonyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-[carbamoyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 5-[carbamoyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 5-[carbamoyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 5-[carbamoyl-[3-(2-chloroethylsulfonyl)propyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H19ClN2O7S2 MolecularWeight: 450.91426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC(=C2C(=C1)N(CCCS(=O)(=O)CCCl)C(=O)N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=CC(=C2C(=C1)N(CCCS(=O)(=O)CCCl)C(=O)N)O)S(=O)(=O)O

InChI

InChI=1S/C16H19ClN2O7S2/c17-5-8-27(22,23)7-2-6-19(16(18)21)13-4-1-3-11-9-12(28(24,25)26)10-14(20)15(11)13/h1,3-4,9-10,20H,2,5-8H2,(H2,18,21)(H,24,25,26)