N-[(2S)-butan-2-yl]-4-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide Traditional Name: 4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=CC(=N2)C)C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2C(=CC(=N2)C)C

InChI

InChI=1S/C18H25N5O4S/c1-5-12(2)22-28(26,27)16-8-6-15(7-9-16)18(25)20-19-17(24)11-23-14(4)10-13(3)21-23/h6-10,12,22H,5,11H2,1-4H3,(H,19,24)(H,20,25)/t12-/m0/s1