[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-methyl-2-(3-thienyl)thiazol-5-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-methyl-2-(3-thienyl)thiazol-5-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N=C(S3)C4=CSC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N=C(S3)C4=CSC=C4)C

InChI

InChI=1S/C21H23N3O3S3/c1-15-4-6-18(7-5-15)30(26,27)24-10-3-9-23(11-12-24)21(25)19-16(2)22-20(29-19)17-8-13-28-14-17/h4-8,13-14H,3,9-12H2,1-2H3