[6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-3-yl] acetate CAS Name: acetic acid [6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(amylamino)-6-(cyclopentylsulfonylamino)-2,2-dimethyl-7-nitro-chroman-3-yl] ester Formula: C23H35N3O7S MolecularWeight: 497.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1C(C(OC2=CC(=C(C=C12)NS(=O)(=O)C3CCCC3)[N+](=O)[O-])(C)C)OC(=O)C

Isomeric SMILES

CCCCCNC1C(C(OC2=CC(=C(C=C12)NS(=O)(=O)C3CCCC3)[N+](=O)[O-])(C)C)OC(=O)C

InChI

InChI=1S/C23H35N3O7S/c1-5-6-9-12-24-21-17-13-18(25-34(30,31)16-10-7-8-11-16)19(26(28)29)14-20(17)33-23(3,4)22(21)32-15(2)27/h13-14,16,21-22,24-25H,5-12H2,1-4H3