12-oxidanylidene-N-[(4-sulfamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-[(4-sulfamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-[(4-sulfamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[(4-sulfamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-[(4-sulfamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(4-sulfamoylbenzyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N)C(=O)N2CC1

InChI

InChI=1S/C21H22N4O4S/c22-30(28,29)16-8-5-14(6-9-16)13-23-20(26)15-7-10-17-18(12-15)24-19-4-2-1-3-11-25(19)21(17)27/h5-10,12H,1-4,11,13H2,(H,23,26)(H2,22,28,29)