N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(3,5-dimethyl-1-pyrazolyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C

InChI

InChI=1S/C25H30N4O4S/c1-18-16-19(2)29(27-18)21-10-8-20(9-11-21)25(30)26-23-17-22(12-13-24(23)33-3)34(31,32)28-14-6-4-5-7-15-28/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,26,30)