N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(4-thiazol-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[4-(2-thiazolyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-(4-thiazol-2-ylpiperazino)benzenesulfonamide Formula: C17H23N5O5S2 MolecularWeight: 441.52502

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S2/c1-13(12-27-2)19-29(25,26)14-3-4-15(16(11-14)22(23)24)20-6-8-21(9-7-20)17-18-5-10-28-17/h3-5,10-11,13,19H,6-9,12H2,1-2H3/t13-/m1/s1