3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-(2-thienyl)propionamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NCCCCC2)C3=CC=CS3

InChI

InChI=1S/C21H26N4O4S2/c1-15(26)23-18(19-6-5-13-30-19)14-21(27)24-16-8-10-17(11-9-16)31(28,29)25-20-7-3-2-4-12-22-20/h5-6,8-11,13,18H,2-4,7,12,14H2,1H3,(H,22,25)(H,23,26)(H,24,27)