N,N-dimethyl-2-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(2-methyl-5-piperidinosulfonyl-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)CC(=O)N(C)C

InChI

InChI=1S/C22H34N4O4S/c1-18-8-9-19(31(29,30)26-12-5-4-6-13-26)16-20(18)22(28)25-11-7-10-24(14-15-25)17-21(27)23(2)3/h8-9,16H,4-7,10-15,17H2,1-3H3