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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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