N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline

Systemtic Name: N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline Openeye Name: N-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[(3-nitrophenyl)methyl]aniline CAS Name: N-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[(3-nitrophenyl)methyl]aniline IUPAC Name: N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[(3-nitrophenyl)methyl]aniline Traditional Name: methyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-nitrobenzyl)amine Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-15-5-4-10-22(13-15)31(29,30)18-8-9-19(20(12-18)24(27)28)21(2)14-16-6-3-7-17(11-16)23(25)26/h3,6-9,11-12,15H,4-5,10,13-14H2,1-2H3