4-(azepan-1-ylsulfonyl)-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-thiophene-2-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzylthiophene-2-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-thiophene-2-carboxamide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S2/c21-18(19-13-15-8-4-3-5-9-15)17-12-16(14-24-17)25(22,23)20-10-6-1-2-7-11-20/h3-5,8-9,12,14H,1-2,6-7,10-11,13H2,(H,19,21)