N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4S/c1-37-25-16-14-22(15-17-25)28-27(21-33(31-28)24-11-5-4-6-12-24)29(34)30-23-10-9-13-26(20-23)38(35,36)32-18-7-2-3-8-19-32/h4-6,9-17,20-21H,2-3,7-8,18-19H2,1H3,(H,30,34)