N-[4-methyl-2-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide

Systemtic Name: N-[4-methyl-2-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[4-methyl-2-[2-(3-methyl-2-thienyl)azepan-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[4-methyl-2-[[2-(3-methyl-2-thiophenyl)-1-azepanyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-methyl-2-[2-(3-methylthiophen-2-yl)azepan-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-methyl-2-[2-(3-methyl-2-thienyl)azepan-1-yl]sulfonyl-phenyl]acetamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)N2CCCCCC2C3=C(C=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)N2CCCCCC2C3=C(C=CS3)C

InChI

InChI=1S/C20H26N2O3S2/c1-14-8-9-17(21-16(3)23)19(13-14)27(24,25)22-11-6-4-5-7-18(22)20-15(2)10-12-26-20/h8-10,12-13,18H,4-7,11H2,1-3H3,(H,21,23)