[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-16(2)28(26,27)20-8-6-18(7-9-20)21(25)24-12-10-23(11-13-24)15-17-4-3-5-19(22)14-17/h3-9,14,16H,10-13,15H2,1-2H3