1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(3,5-dimethyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Formula: C18H31N5O3S MolecularWeight: 397.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H31N5O3S/c1-16-15-17(2)23(19-16)10-7-18(24)20-11-13-22(14-12-20)27(25,26)21-8-5-3-4-6-9-21/h15H,3-14H2,1-2H3