3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thienylmethyl)pyrazol-3-yl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thenyl)pyrazol-3-yl]propionamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=NN3CC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C23H28N4O3S2/c28-23(25-22-13-14-24-27(22)18-20-6-5-17-31-20)12-9-19-7-10-21(11-8-19)32(29,30)26-15-3-1-2-4-16-26/h5-8,10-11,13-14,17H,1-4,9,12,15-16,18H2,(H,25,28)