[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(1-pyrazin-2-yl-3-piperidyl)methanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4)C

InChI

InChI=1S/C22H29N5O3S/c1-17-5-6-20(14-18(17)2)31(29,30)27-12-10-25(11-13-27)22(28)19-4-3-9-26(16-19)21-15-23-7-8-24-21/h5-8,14-15,19H,3-4,9-13,16H2,1-2H3