2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-butan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-butan-2-ylphenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-sec-butylphenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-butan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-butan-2-ylphenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-sec-butylphenyl)acetamide Formula: C21H28BrN3O3S2 MolecularWeight: 514.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H28BrN3O3S2/c1-3-16(2)17-5-7-18(8-6-17)23-20(26)15-24-11-4-12-25(14-13-24)30(27,28)21-10-9-19(22)29-21/h5-10,16H,3-4,11-15H2,1-2H3,(H,23,26)