N-butyl-2-[(4-methylphenyl)sulfonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: N-butyl-2-[(4-methylphenyl)sulfonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-benzyl-N-butyl-2-(p-tolylsulfonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: N-butyl-2-[(4-methylphenyl)sulfonylamino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 1-benzyl-N-butyl-2-[(4-methylphenyl)sulfonylamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-benzyl-N-butyl-2-(tosylamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H29N5O3S/c1-3-4-18-30-29(35)25-26-28(32-24-13-9-8-12-23(24)31-26)34(19-21-10-6-5-7-11-21)27(25)33-38(36,37)22-16-14-20(2)15-17-22/h5-17,33H,3-4,18-19H2,1-2H3,(H,30,35)