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

Systemtic Name: N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,5-dimethyl-1-piperidyl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(3,5-dimethyl-1-piperidinyl)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(3,5-dimethylpiperidino)ethyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H33N5O4S MolecularWeight: 439.57212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H33N5O4S/c1-16-12-17(2)15-23(14-16)7-6-21-19-5-4-18(13-20(19)25(26)27)30(28,29)24-10-8-22(3)9-11-24/h4-5,13,16-17,21H,6-12,14-15H2,1-3H3