[6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-pyridyl]-pyrrolidino-methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3S/c1-17-5-6-18(2)20(15-17)30(28,29)26-13-11-24(12-14-26)21-8-7-19(16-23-21)22(27)25-9-3-4-10-25/h5-8,15-16H,3-4,9-14H2,1-2H3