N-(1-methylsulfonylpiperidin-4-yl)-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(1-methylsulfonyl-4-piperidyl)-3-nitro-benzamide CAS Name: 4-anilino-N-(1-methylsulfonyl-4-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(1-methylsulfonylpiperidin-4-yl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(1-mesyl-4-piperidyl)-3-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-29(27,28)22-11-9-16(10-12-22)21-19(24)14-7-8-17(18(13-14)23(25)26)20-15-5-3-2-4-6-15/h2-8,13,16,20H,9-12H2,1H3,(H,21,24)