N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=CC(=N2)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=CC(=N2)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O3S/c1-16-8-9-19(22-21(26)10-13-25-18(3)14-17(2)23-25)15-20(16)29(27,28)24-11-6-4-5-7-12-24/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,22,26)