N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2CCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N2O3S2/c1-16-10-11-17(14-21(16)29(26,27)24-12-6-2-3-7-13-24)23-22(25)19-15-28-20-9-5-4-8-18(19)20/h10-11,14-15H,2-9,12-13H2,1H3,(H,23,25)