2-[4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCN(CC2)CC(=O)N(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCCN(CC2)CC(=O)N(C)C

InChI

InChI=1S/C20H31N5O5S/c1-16(26)21-17-6-8-18(9-7-17)31(29,30)23(4)14-20(28)25-11-5-10-24(12-13-25)15-19(27)22(2)3/h6-9H,5,10-15H2,1-4H3,(H,21,26)