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

Systemtic Name: 3-nitro-4-[(1-phenylmethoxy-3-phenylsulfanyl-propan-2-yl)amino]benzenesulfonamide Openeye Name: 4-[[1-(benzyloxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[[1-phenylmethoxy-3-(phenylthio)propan-2-yl]amino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(1-phenylmethoxy-3-phenylsulfanylpropan-2-yl)amino]benzenesulfonamide Traditional Name: 4-[[1-(benzoxymethyl)-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5S2/c23-32(28,29)20-11-12-21(22(13-20)25(26)27)24-18(16-31-19-9-5-2-6-10-19)15-30-14-17-7-3-1-4-8-17/h1-13,18,24H,14-16H2,(H2,23,28,29)