N-[3-(azepan-1-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C22H35N3O3S MolecularWeight: 421.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-19-10-11-20(18-21(19)29(27,28)25-16-7-4-8-17-25)22(26)23-12-9-15-24-13-5-2-3-6-14-24/h10-11,18H,2-9,12-17H2,1H3,(H,23,26)