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

Systemtic Name: N-[3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-(4-methoxy-3-piperidinosulfonyl-anilino)propyl]-4-nitro-benzamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N4O7S/c1-33-19-10-7-17(15-20(19)34(31,32)25-13-3-2-4-14-25)24-21(27)11-12-23-22(28)16-5-8-18(9-6-16)26(29)30/h5-10,15H,2-4,11-14H2,1H3,(H,23,28)(H,24,27)