N-tert-butyl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]furan-2-sulfonamide

Systemtic Name: N-tert-butyl-5-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]furan-2-sulfonamide Openeye Name: N-tert-butyl-5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]furan-2-sulfonamide CAS Name: N-tert-butyl-5-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-furansulfonamide IUPAC Name: N-tert-butyl-5-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]furan-2-sulfonamide Traditional Name: N-tert-butyl-5-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]furan-2-sulfonamide Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(O1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(O1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H27N3O4S2/c1-19(2,3)20-28(24,25)17-8-7-16(26-17)18(23)22-10-5-9-21(11-12-22)14-15-6-4-13-27-15/h4,6-8,13,20H,5,9-12,14H2,1-3H3