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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[1-(4-nitrophenyl)-4-pyrazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C20H26N6O5S MolecularWeight: 462.52264

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O5S/c27-20(17-15-21-25(16-17)18-5-7-19(8-6-18)26(28)29)22-11-13-24(14-12-22)32(30,31)23-9-3-1-2-4-10-23/h5-8,15-16H,1-4,9-14H2