N-[[5-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]-2-thienyl]methyl]acetamide CAS Name: N-[[5-[[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[(4-m-toluoyl-1,4-diazepan-1-yl)sulfonyl]-2-thienyl]methyl]acetamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-15-5-3-6-17(13-15)20(25)22-9-4-10-23(12-11-22)29(26,27)19-8-7-18(28-19)14-21-16(2)24/h3,5-8,13H,4,9-12,14H2,1-2H3,(H,21,24)