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

Systemtic Name: N-methoxy-N-methyl-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methoxy-N-methyl-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CN(OC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CN(OC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3O4S2/c1-20(26-2)28(24,25)18-8-6-16(7-9-18)19(23)22-11-4-10-21(12-13-22)15-17-5-3-14-27-17/h3,5-9,14H,4,10-13,15H2,1-2H3