N-[2-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-4-methyl-phenyl]ethanamide

Systemtic Name: N-[2-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-4-methyl-phenyl]ethanamide Openeye Name: N-[2-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]-4-methyl-phenyl]acetamide CAS Name: N-[2-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]-4-methylphenyl]acetamide IUPAC Name: N-[2-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-4-methylphenyl]acetamide Traditional Name: N-[2-[4-(azepan-1-ylmethyl)piperidino]sulfonyl-4-methyl-phenyl]acetamide Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-17-7-8-20(22-18(2)25)21(15-17)28(26,27)24-13-9-19(10-14-24)16-23-11-5-3-4-6-12-23/h7-8,15,19H,3-6,9-14,16H2,1-2H3,(H,22,25)