N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[2-(2-pyrazinylamino)ethylamino]benzenesulfonamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[2-(pyrazin-2-ylamino)ethylamino]benzenesulfonamide Formula: C16H22N6O5S MolecularWeight: 410.44808

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=NC=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O5S/c1-12(11-27-2)21-28(25,26)13-3-4-14(15(9-13)22(23)24)18-7-8-20-16-10-17-5-6-19-16/h3-6,9-10,12,18,21H,7-8,11H2,1-2H3,(H,19,20)/t12-/m0/s1