N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propan-2-yl-amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-propan-2-yl-amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-isopropyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)-3-pyrazolyl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-propan-2-ylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(4-chloro-3-nitrophenyl)sulfonyl-propan-2-ylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(4-chloro-3-nitro-phenyl)sulfonyl-isopropyl-amino]acetamide Formula: C26H32ClN5O5S MolecularWeight: 562.08078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(C(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C26H32ClN5O5S/c1-16(2)30(38(36,37)19-11-12-20(27)22(13-19)32(34)35)15-25(33)28-24-14-23(26(5,6)7)29-31(24)21-10-8-9-17(3)18(21)4/h8-14,16H,15H2,1-7H3,(H,28,33)