[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(3-methylpiperidino)methanone Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H30N2O3S/c1-16-8-7-11-21(15-16)20(23)19-14-18(10-9-17(19)2)26(24,25)22-12-5-3-4-6-13-22/h9-10,14,16H,3-8,11-13,15H2,1-2H3