[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(1-propylsulfonyl-3-piperidyl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(1-propylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-(1-propylsulfonyl-3-piperidyl)methanone Formula: C20H30ClN3O3S MolecularWeight: 427.9885

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C20H30ClN3O3S/c1-3-13-28(26,27)24-8-4-5-17(15-24)20(25)23-11-9-22(10-12-23)19-14-18(21)7-6-16(19)2/h6-7,14,17H,3-5,8-13,15H2,1-2H3