N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(propargylamino)benzenesulfonamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-4-7-14-12-6-5-11(8-13(12)16(17)18)22(19,20)15-10(2)9-21-3/h1,5-6,8,10,14-15H,7,9H2,2-3H3/t10-/m1/s1