N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: N-methyl-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: N-methyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: methyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(2-pyridyl)ethyl]amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-16-8-13-23(14-9-16)29(27,28)18-6-7-19(20(15-18)24(25)26)22(2)12-10-17-5-3-4-11-21-17/h3-7,11,15-16H,8-10,12-14H2,1-2H3