N-[3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-methyl-5-(1-piperidylsulfonyl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(2-methyl-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(2-methyl-5-piperidinosulfonyl-anilino)propyl]-4-nitro-benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-16-5-10-19(33(31,32)25-13-3-2-4-14-25)15-20(16)24-21(27)11-12-23-22(28)17-6-8-18(9-7-17)26(29)30/h5-10,15H,2-4,11-14H2,1H3,(H,23,28)(H,24,27)