[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-3,5-dimethylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methanone Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5O3S/c1-19-22(20(2)28(24-19)18-21-10-6-5-7-11-21)23(29)25-14-16-27(17-15-25)32(30,31)26-12-8-3-4-9-13-26/h5-7,10-11H,3-4,8-9,12-18H2,1-2H3