4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(3-methoxy-2-phenylsulfanyl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-methoxy-2-(phenylthio)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3-methoxy-2-phenylsulfanylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-methoxy-2-(phenylthio)propyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

COCC(CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O5S2/c1-24-11-13(25-12-5-3-2-4-6-12)10-18-15-8-7-14(26(17,22)23)9-16(15)19(20)21/h2-9,13,18H,10-11H2,1H3,(H2,17,22,23)