N-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[3-[(4-methylsulfonyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[3-(4-mesyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S2/c1-27(24,25)21-9-4-8-20(10-11-21)18(23)14-5-2-6-15(13-14)19-17(22)16-7-3-12-26-16/h2-3,5-7,12-13H,4,8-11H2,1H3,(H,19,22)