N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-isopentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide CAS Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-2-naphthalenesulfonamide IUPAC Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]naphthalene-2-sulfonamide Traditional Name: N-(1-isoamyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)naphthalene-2-sulfonamide Formula: C32H30N4O4S2 MolecularWeight: 598.735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC(C)C)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC(C)C)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H30N4O4S2/c1-21(2)18-19-36-31-29(33-27-10-6-7-11-28(27)34-31)30(41(37,38)25-15-12-22(3)13-16-25)32(36)35-42(39,40)26-17-14-23-8-4-5-9-24(23)20-26/h4-17,20-21,35H,18-19H2,1-3H3