N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline

Systemtic Name: N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: N-methyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: N-methyl-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: N-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: methyl-[4-[(3S)-3-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:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-16-6-5-12-23(15-16)29(27,28)18-8-9-19(20(14-18)24(25)26)22(2)13-10-17-7-3-4-11-21-17/h3-4,7-9,11,14,16H,5-6,10,12-13,15H2,1-2H3/t16-/m0/s1