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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3-thienyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3-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=CSC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CSC=C2)S(=O)(=O)N3CCCCCC3

InChI

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