[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thienyl)methanone CAS Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(3-methyl-2-thienyl)methanone Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H24N2O3S2/c1-15-8-13-25-18(15)19(22)21-10-3-9-20(11-12-21)14-16-4-6-17(7-5-16)26(2,23)24/h4-8,13H,3,9-12,14H2,1-2H3