4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(phenylsulfonyl)ethyl]aniline

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(phenylsulfonyl)ethyl]aniline Openeye Name: N-[2-(benzenesulfonyl)ethyl]-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[2-(benzenesulfonyl)ethyl]-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-besylethyl-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H27N3O6S2/c1-16-12-17(2)15-23(14-16)32(29,30)19-8-9-20(21(13-19)24(25)26)22-10-11-31(27,28)18-6-4-3-5-7-18/h3-9,13,16-17,22H,10-12,14-15H2,1-2H3