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

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-14-6-9-21(10-7-14)27(25,26)16-4-5-17(18(11-16)22(23)24)20-13-15-3-2-8-19-12-15/h2-5,8,11-12,14,20H,6-7,9-10,13H2,1H3