N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: N-[1-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-3-mesyl-propyl]-3-methyl-benzamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)NCCCN2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)NCCCN2C(=CC(=N2)C)C

InChI

InChI=1S/C21H30N4O4S/c1-15-7-5-8-18(13-15)20(26)23-19(9-12-30(4,28)29)21(27)22-10-6-11-25-17(3)14-16(2)24-25/h5,7-8,13-14,19H,6,9-12H2,1-4H3,(H,22,27)(H,23,26)