4-chloranyl-N-[1-cyclohexyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-cyclohexyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-cyclohexyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-cyclohexyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-cyclohexyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-(1-cyclohexyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-3-nitro-benzamide Formula: C30H26ClN5O5S MolecularWeight: 604.07594

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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)C5CCCCC5)NC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5CCCCC5)NC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H26ClN5O5S/c1-18-11-14-21(15-12-18)42(40,41)27-26-28(33-24-10-6-5-9-23(24)32-26)35(20-7-3-2-4-8-20)29(27)34-30(37)19-13-16-22(31)25(17-19)36(38)39/h5-6,9-17,20H,2-4,7-8H2,1H3,(H,34,37)