N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline Openeye Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-thienylmethyl)aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(thiophen-2-ylmethyl)aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline Traditional Name: methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(2-thenyl)amine Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-18-7-9-20(10-8-18)27(24,25)15-5-6-16(17(12-15)21(22)23)19(2)13-14-4-3-11-26-14/h3-6,11-12H,7-10,13H2,1-2H3