ethyl 3-(4-propylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-(4-propylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-(4-propylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate CAS Name: 3-(4-propylsulfonyl-1,4-diazepan-1-yl)-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-propylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Traditional Name: 3-(4-propylsulfonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)OCC

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)OCC

InChI

InChI=1S/C19H26N4O4S/c1-3-14-28(25,26)23-11-7-10-22(12-13-23)18-17(19(24)27-4-2)20-15-8-5-6-9-16(15)21-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3