[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-[2-(3-thienyl)thiazol-4-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(3-thiophenyl)-4-thiazolyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone Traditional Name: [2-(3-thienyl)thiazol-4-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H21N3O3S3/c1-15-3-5-17(6-4-15)29(25,26)23-9-2-8-22(10-11-23)20(24)18-14-28-19(21-18)16-7-12-27-13-16/h3-7,12-14H,2,8-11H2,1H3