[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[1-(1H-imidazol-5-ylsulfonyl)-3-piperidyl]methanone Formula: C21H29N5O3S MolecularWeight: 431.55166

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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)C4=CN=CN4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C21H29N5O3S/c1-16-5-6-17(2)19(12-16)24-8-10-25(11-9-24)21(27)18-4-3-7-26(14-18)30(28,29)20-13-22-15-23-20/h5-6,12-13,15,18H,3-4,7-11,14H2,1-2H3,(H,22,23)