N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2O3S2/c24-21(20-14-16-8-3-4-11-19(16)27-20)22-17-9-7-10-18(15-17)28(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,15,20H,1-2,5-6,12-14H2,(H,22,24)