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

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrrolidin-1-ylsulfonyl-3-piperidyl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-(1-pyrrolidinylsulfonyl)-3-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(1-pyrrolidinosulfonyl-3-piperidyl)methanone Formula: C22H34N4O3S MolecularWeight: 434.59536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H34N4O3S/c1-18-7-8-19(2)21(16-18)23-12-14-24(15-13-23)22(27)20-6-5-11-26(17-20)30(28,29)25-9-3-4-10-25/h7-8,16,20H,3-6,9-15,17H2,1-2H3