2,2-dimethyl-N-[4-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophen-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophen-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[4-methyl-5-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-2-thienyl]propanamide CAS Name: 2,2-dimethyl-N-[4-methyl-5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-thiophenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-methyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophen-2-yl]propanamide Traditional Name: 2,2-dimethyl-N-[4-methyl-5-(4-tosyl-1,4-diazepane-1-carbonyl)-2-thienyl]propionamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=C(S3)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=C(S3)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C23H31N3O4S2/c1-16-7-9-18(10-8-16)32(29,30)26-12-6-11-25(13-14-26)21(27)20-17(2)15-19(31-20)24-22(28)23(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,24,28)