[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-propylsulfonyl-3-piperidyl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-(1-propylsulfonyl-3-piperidinyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(1-propylsulfonyl-3-piperidyl)methanone Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-4-14-28(26,27)24-9-5-6-19(16-24)21(25)23-12-10-22(11-13-23)20-15-17(2)7-8-18(20)3/h7-8,15,19H,4-6,9-14,16H2,1-3H3