(E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-(3-nitrophenyl)acrylamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-24(2)21-11-10-19(32(30,31)25-13-4-3-5-14-25)16-20(21)23-22(27)12-9-17-7-6-8-18(15-17)26(28)29/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,23,27)/b12-9+