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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[(4-morpholinophenyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-methyl-N-(4-morpholinobenzyl)benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-26(20-21-9-11-23(12-10-21)27-15-17-32-18-16-27)25(29)22-7-6-8-24(19-22)33(30,31)28-13-4-2-3-5-14-28/h6-12,19H,2-5,13-18,20H2,1H3