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

Systemtic Name: (E)-N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(butylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(butylamino)-5-pyrrolidin-1-ylsulfonylphenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(butylamino)-5-pyrrolidinosulfonyl-phenyl]-3-(3-nitrophenyl)acrylamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c1-2-3-13-24-21-11-10-20(33(31,32)26-14-4-5-15-26)17-22(21)25-23(28)12-9-18-7-6-8-19(16-18)27(29)30/h6-12,16-17,24H,2-5,13-15H2,1H3,(H,25,28)/b12-9+