1-[4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-methyl-3-(1-piperidylsulfonyl)anilino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-methyl-3-piperidin-1-ylsulfonylanilino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-methyl-3-piperidinosulfonyl-anilino)-3-nitro-phenyl]ethanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O5S/c1-14-6-8-17(13-20(14)29(27,28)22-10-4-3-5-11-22)21-18-9-7-16(15(2)24)12-19(18)23(25)26/h6-9,12-13,21H,3-5,10-11H2,1-2H3