N-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methyl-3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-methyl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methyl-3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-19-26(23,24)17-7-2-5-15(13-17)18(22)21-9-4-8-20(10-11-21)14-16-6-3-12-25-16/h2-3,5-7,12-13,19H,4,8-11,14H2,1H3