N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C29H25N5O5S MolecularWeight: 555.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25N5O5S/c1-2-3-18-33-28-26(30-23-14-7-8-15-24(23)31-28)27(40(38,39)22-12-5-4-6-13-22)29(33)32-25(35)17-16-20-10-9-11-21(19-20)34(36)37/h4-17,19H,2-3,18H2,1H3,(H,32,35)