3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-morpholinophenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[[4-(4-morpholinyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-morpholinobenzyl)benzamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4CCOCC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4CCOCC4)Cl

InChI

InChI=1S/C24H30ClN3O4S/c25-22-10-7-20(17-23(22)33(30,31)28-11-3-1-2-4-12-28)24(29)26-18-19-5-8-21(9-6-19)27-13-15-32-16-14-27/h5-10,17H,1-4,11-16,18H2,(H,26,29)