3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-methylbenzoate

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-methylbenzoate Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 3-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]propyl ester IUPAC Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C27H24N4O4S MolecularWeight: 500.56886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C27H24N4O4S/c1-18-10-5-6-13-20(18)27(32)35-17-9-16-31-25(28)24(36(33,34)19-11-3-2-4-12-19)23-26(31)30-22-15-8-7-14-21(22)29-23/h2-8,10-15H,9,16-17,28H2,1H3