4-[(1-methoxy-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1-methoxy-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-(methoxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-methoxy-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(1-methoxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(methoxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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