N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-thienyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-thienyl)propionamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O3S2/c1-16-8-9-17(21-20(23)11-10-18-7-6-14-26-18)15-19(16)27(24,25)22-12-4-2-3-5-13-22/h6-9,14-15H,2-5,10-13H2,1H3,(H,21,23)