azepan-1-yl-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-phenyl]methanone

Systemtic Name: azepan-1-yl-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-phenyl]methanone Openeye Name: azepan-1-yl-[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-phenyl]methanone CAS Name: 1-azepanyl-[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxyphenyl]methanone IUPAC Name: azepan-1-yl-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]methanone Traditional Name: azepan-1-yl-[3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-phenyl]methanone Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-16-12-17(2)15-23(14-16)28(25,26)20-13-18(8-9-19(20)27-3)21(24)22-10-6-4-5-7-11-22/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3