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

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[1-(1H-imidazol-5-ylsulfonyl)-4-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)C3CCN(CC3)S(=O)(=O)C4=CN=CN4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C21H29N5O3S/c1-16-3-4-17(2)19(13-16)24-9-11-25(12-10-24)21(27)18-5-7-26(8-6-18)30(28,29)20-14-22-15-23-20/h3-4,13-15,18H,5-12H2,1-2H3,(H,22,23)