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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C21H30N4O4S/c1-16-14-17(2)25(23-16)13-10-21(26)22-19-15-18(8-9-20(19)29-3)30(27,28)24-11-6-4-5-7-12-24/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,22,26)