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

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-20-7-9-21(10-8-20)27(25,26)15-4-5-16(17(11-15)22(23)24)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3