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

Systemtic Name: (3-chloranylthiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-2-thienyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-2-thiophenyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chlorothiophen-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-2-thienyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Cl

InChI

InChI=1S/C18H21ClN2O3S2/c1-26(23,24)15-5-3-14(4-6-15)13-20-8-2-9-21(11-10-20)18(22)17-16(19)7-12-25-17/h3-7,12H,2,8-11,13H2,1H3