4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-benzenesulfonamide Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S2/c1-23(2)13-7-6-8-16(15-29-17-9-4-3-5-10-17)22-19-12-11-18(30(21,27)28)14-20(19)24(25)26/h3-5,9-12,14,16,22H,6-8,13,15H2,1-2H3,(H2,21,27,28)