N-[4-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(azepan-1-ylmethyl)piperidino]sulfonylphenyl]acetamide Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17(24)21-19-6-8-20(9-7-19)27(25,26)23-14-10-18(11-15-23)16-22-12-4-2-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24)