[4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(1-mesyl-4-piperidyl)amino]-3-nitro-phenyl]-phenyl-methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-28(26,27)21-11-9-16(10-12-21)20-17-8-7-15(13-18(17)22(24)25)19(23)14-5-3-2-4-6-14/h2-8,13,16,20H,9-12H2,1H3