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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-oxo-2-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-oxo-2-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-oxo-2-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-(3-thenyl)-1,4-diazepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCN(CC1)CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCCN(CC1)CC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-20(27(24,25)18-6-3-2-4-7-18)15-19(23)22-10-5-9-21(11-12-22)14-17-8-13-26-16-17/h2-4,6-8,13,16H,5,9-12,14-15H2,1H3