[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone Formula: C20H26ClN5O3S MolecularWeight: 451.97014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H26ClN5O3S/c21-17-7-5-6-16(14-17)18-15-19(23-22-18)20(27)24-10-12-26(13-11-24)30(28,29)25-8-3-1-2-4-9-25/h5-7,14-15H,1-4,8-13H2,(H,22,23)