2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C23H25ClN2O3S2 MolecularWeight: 477.0392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O3S2/c1-31(28,29)20-6-3-17(4-7-20)15-25-9-2-10-26(12-11-25)23(27)13-18-16-30-22-8-5-19(24)14-21(18)22/h3-8,14,16H,2,9-13,15H2,1H3