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

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone Traditional Name: [4-(2,3-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=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4)C

Isomeric SMILES

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

InChI

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