2-(phenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(phenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-besyl-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C18H22N2O3S2/c21-18(15-25(22,23)17-5-2-1-3-6-17)20-9-4-8-19(10-11-20)13-16-7-12-24-14-16/h1-3,5-7,12,14H,4,8-11,13,15H2