[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-phenylpyrazol-4-yl)methanone Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5O3S/c26-20(18-16-21-25(17-18)19-8-4-3-5-9-19)22-12-14-24(15-13-22)29(27,28)23-10-6-1-2-7-11-23/h3-5,8-9,16-17H,1-2,6-7,10-15H2