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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(3-methylpiperidino)methanone Formula: C19H27ClN2O3S MolecularWeight: 398.94728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O3S/c1-15-7-6-10-21(14-15)19(23)17-13-16(8-9-18(17)20)26(24,25)22-11-4-2-3-5-12-22/h8-9,13,15H,2-7,10-12,14H2,1H3