N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C30H27N5O5S MolecularWeight: 569.63088

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H27N5O5S/c1-3-4-18-34-29-27(31-24-10-5-6-11-25(24)32-29)28(41(39,40)23-15-12-20(2)13-16-23)30(34)33-26(36)17-14-21-8-7-9-22(19-21)35(37)38/h5-17,19H,3-4,18H2,1-2H3,(H,33,36)