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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(phenylmethyl)pyrazol-3-yl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylpyrazol-3-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(phenylmethyl)-3-pyrazolyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylpyrazol-3-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylpyrazol-3-yl)propionamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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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=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=NN3CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c30-25(27-24-16-17-26-29(24)20-22-8-4-3-5-9-22)15-12-21-10-13-23(14-11-21)33(31,32)28-18-6-1-2-7-19-28/h3-5,8-11,13-14,16-17H,1-2,6-7,12,15,18-20H2,(H,27,30)