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

Systemtic Name: 7-[3-(2-chloroethylsulfonyl)propylcarbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[3-(2-chloroethylsulfonyl)propylcarbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[3-(2-chloroethylsulfonyl)propylamino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[3-(2-chloroethylsulfonyl)propylcarbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[3-(2-chloroethylsulfonyl)propylcarbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C16H19ClN2O7S2 MolecularWeight: 450.91426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)NCCCS(=O)(=O)CCCl)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)NCCCS(=O)(=O)CCCl)S(=O)(=O)O)O

InChI

InChI=1S/C16H19ClN2O7S2/c17-4-7-27(22,23)6-1-5-18-16(21)19-12-2-3-14-11(8-12)9-13(10-15(14)20)28(24,25)26/h2-3,8-10,20H,1,4-7H2,(H2,18,19,21)(H,24,25,26)