(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-[4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(3-methylphenyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[4-(m-tolyl)piperazino]methanone Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-18-6-5-7-19(16-18)25-12-14-26(15-13-25)23(28)21-17-20(8-9-22(21)24)31(29,30)27-10-3-2-4-11-27/h5-9,16-17H,2-4,10-15H2,1H3