4-(azepan-1-ylsulfonyl)-N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N5O4S/c1-15-20(16(2)25(3)24-15)23-19(27)14-22-21(28)17-8-10-18(11-9-17)31(29,30)26-12-6-4-5-7-13-26/h8-11H,4-7,12-14H2,1-3H3,(H,22,28)(H,23,27)