methyl 1-[(2-methyl-5-nitro-phenyl)sulfonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(2-methyl-5-nitro-phenyl)sulfonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(2-methyl-5-nitro-phenyl)sulfonylamino]cycloheptanecarboxylate CAS Name: 1-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methyl-5-nitrophenyl)sulfonylamino]cycloheptane-1-carboxylate Traditional Name: 1-[(2-methyl-5-nitro-phenyl)sulfonylamino]cycloheptanecarboxylic acid methyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2(CCCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2(CCCCCC2)C(=O)OC

InChI

InChI=1S/C16H22N2O6S/c1-12-7-8-13(18(20)21)11-14(12)25(22,23)17-16(15(19)24-2)9-5-3-4-6-10-16/h7-8,11,17H,3-6,9-10H2,1-2H3