N-(2-azanylethyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)hexahydropyrimidine-2-carboxamide Formula: C23H34N6O4S MolecularWeight: 490.61886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H34N6O4S/c1-23(2,3)19-15-18(27(4)26-19)22(31)28-13-8-14-29(21(28)20(30)25-12-11-24)34(32,33)16-17-9-6-5-7-10-17/h5-7,9-10,15,21H,8,11-14,16,24H2,1-4H3,(H,25,30)