N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl(pentan-3-yl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[methyl(pentan-3-yl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1-ethylpropyl(methyl)amino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[methyl(pentan-3-yl)amino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[methyl(pentan-3-yl)amino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1-ethylpropyl(methyl)amino]acetamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C)CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(CC)N(C)CC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H35N3O3S/c1-5-19(6-2)23(4)16-21(25)22-18-12-11-17(3)20(15-18)28(26,27)24-13-9-7-8-10-14-24/h11-12,15,19H,5-10,13-14,16H2,1-4H3,(H,22,25)