N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-20-8-10-22(11-9-20)28(26,27)16-5-6-17(18(12-16)23(24)25)21(2)14-15-4-3-7-19-13-15/h3-7,12-13H,8-11,14H2,1-2H3