N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-pyrazol-1-yl-benzamide 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=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4O4S/c1-31-22-12-11-20(32(29,30)26-14-4-2-3-5-15-26)17-21(22)25-23(28)18-7-9-19(10-8-18)27-16-6-13-24-27/h6-13,16-17H,2-5,14-15H2,1H3,(H,25,28)