[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]-(2-methylpiperidin-1-yl)methanone

Systemtic Name: [1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]-(2-methylpiperidin-1-yl)methanone Openeye Name: [1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-4-piperidyl]-(2-methyl-1-piperidyl)methanone CAS Name: [1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinyl]-(2-methyl-1-piperidinyl)methanone IUPAC Name: [1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidin-4-yl]-(2-methylpiperidin-1-yl)methanone Traditional Name: [1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-4-piperidyl]-(2-methylpiperidino)methanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-14-5-3-4-10-22(14)19(24)15-8-11-21(12-9-15)29(27,28)16-6-7-17(20-2)18(13-16)23(25)26/h6-7,13-15,20H,3-5,8-12H2,1-2H3