N-butyl-2-(phenylsulfonylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-butyl-2-(phenylsulfonylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(benzenesulfonylcarbamoylamino)-N-butyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[benzenesulfonamido(oxo)methyl]amino]-N-butyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(benzenesulfonylcarbamoylamino)-N-butyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(besylcarbamoylamino)-N-butyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S2/c1-2-3-14-22-19(25)18-16-12-8-5-9-13-17(16)29-20(18)23-21(26)24-30(27,28)15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,22,25)(H2,23,24,26)