2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-16-4-9-20(29-2)19(14-16)23-21(26)15-24-10-3-11-25(13-12-24)30(27,28)18-7-5-17(22)6-8-18/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)