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

Systemtic Name: 2-(2-phenylethenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-styrylsulfonyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenylethenylsulfonyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenylethenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-styrylsulfonyl-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CS(=O)(=O)C=CC2=CC=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C20H24N2O3S2/c23-20(17-27(24,25)14-8-18-5-2-1-3-6-18)22-10-4-9-21(11-12-22)15-19-7-13-26-16-19/h1-3,5-8,13-14,16H,4,9-12,15,17H2