[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-phenyl-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C24H29N5O3S2 MolecularWeight: 499.64876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H29N5O3S2/c30-24(26-14-16-28(17-15-26)34(31,32)27-12-6-1-2-7-13-27)22-19-21(23-11-8-18-33-23)25-29(22)20-9-4-3-5-10-20/h3-5,8-11,18-19H,1-2,6-7,12-17H2