(2-chloranyl-4-methylsulfonyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-4-methylsulfonyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-methylsulfonyl-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-methylsulfonylphenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-mesyl-phenyl)-[4-(3-thenyl)-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)C(=O)N2CCCN(CC2)CC3=CSC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CSC=C3)Cl

InChI

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