N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-31-22-12-11-18(32(29,30)27-13-7-2-3-8-14-27)15-20(22)24-23(28)21-16-19(25-26-21)17-9-5-4-6-10-17/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3,(H,24,28)(H,25,26)