N,N-dimethyl-2-[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[3-(3-ketopiperazino)sulfonylbenzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C20H29N5O5S/c1-22(2)19(27)15-23-8-4-9-24(12-11-23)20(28)16-5-3-6-17(13-16)31(29,30)25-10-7-21-18(26)14-25/h3,5-6,13H,4,7-12,14-15H2,1-2H3,(H,21,26)