3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methoxyethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-methoxyethyl)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methoxyethyl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-(2-methoxyethyl)benzamide Formula: C25H29ClN4O5S MolecularWeight: 533.03956

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29ClN4O5S/c1-35-15-14-29(17-23-27-21-9-5-4-8-19(21)24(31)28-23)25(32)18-10-11-20(26)22(16-18)36(33,34)30-12-6-2-3-7-13-30/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,27,28,31)