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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

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