azepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2,4-dimethylphenyl)sulfonyl-4-piperidyl]methanone Formula: C20H30N2O3S MolecularWeight: 378.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H30N2O3S/c1-16-7-8-19(17(2)15-16)26(24,25)22-13-9-18(10-14-22)20(23)21-11-5-3-4-6-12-21/h7-8,15,18H,3-6,9-14H2,1-2H3