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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(diethylamino)phenyl]acetamide Traditional Name: 2-(4-brosyl-1,4-diazepan-1-yl)-N-[4-(diethylamino)phenyl]acetamide Formula: C23H31BrN4O3S MolecularWeight: 523.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN4O3S/c1-3-27(4-2)21-10-8-20(9-11-21)25-23(29)18-26-14-5-15-28(17-16-26)32(30,31)22-12-6-19(24)7-13-22/h6-13H,3-5,14-18H2,1-2H3,(H,25,29)