azepan-1-yl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone

Systemtic Name: azepan-1-yl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone Openeye Name: azepan-1-yl-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[4-(3,5-dimethylpiperidino)sulfonylphenyl]methanone Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCCCC3)C

InChI

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