N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[(2S)-2-phenylbutyl]amino]benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)NC(C)COC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C)COC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-4-16(17-8-6-5-7-9-17)13-21-19-11-10-18(12-20(19)23(24)25)29(26,27)22-15(2)14-28-3/h5-12,15-16,21-22H,4,13-14H2,1-3H3/t15-,16-/m1/s1