[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone Openeye Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-[5-(2-pyridyl)-2-thienyl]methanone CAS Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-[5-(2-pyridinyl)-2-thiophenyl]methanone IUPAC Name: [4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-[5-(2-pyridyl)-2-thienyl]methanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N3O3S2/c1-31(28,29)19-8-6-18(7-9-19)17-25-13-4-14-26(16-15-25)23(27)22-11-10-21(30-22)20-5-2-3-12-24-20/h2-3,5-12H,4,13-17H2,1H3