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

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(phenylmethyl)sulfonylethyl]aniline Openeye Name: N-(2-benzylsulfonylethyl)-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(phenylmethyl)sulfonylethyl]aniline IUPAC Name: N-(2-benzylsulfonylethyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-benzylsulfonylethyl-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCS(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCS(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H29N3O6S2/c1-17-12-18(2)15-24(14-17)33(30,31)20-8-9-21(22(13-20)25(26)27)23-10-11-32(28,29)16-19-6-4-3-5-7-19/h3-9,13,17-18,23H,10-12,14-16H2,1-2H3