[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-methylthiophen-2-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-methylthiophen-2-yl)methanone Openeye Name: (5-methyl-2-thienyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-methyl-2-thiophenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(5-methylthiophen-2-yl)methanone Traditional Name: (5-methyl-2-thienyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-14-4-7-16(8-5-14)25(22,23)20-11-3-10-19(12-13-20)18(21)17-9-6-15(2)24-17/h4-9H,3,10-13H2,1-2H3