2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-isopentyl-amino]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-isoamyl-amino]-N-(4-methylthiazol-2-yl)acetamide Formula: C17H21ClN4O5S2 MolecularWeight: 460.95544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O5S2/c1-11(2)6-7-21(9-16(23)20-17-19-12(3)10-28-17)29(26,27)13-4-5-14(18)15(8-13)22(24)25/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,20,23)