N-[(2S)-1-methoxypropan-2-yl]-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-[3-(3-methylphenoxy)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-[3-(3-methylphenoxy)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[3-(3-methylphenoxy)propylamino]-3-nitro-benzenesulfonamide Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)N[C@@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6S/c1-15-6-4-7-17(12-15)29-11-5-10-21-19-9-8-18(13-20(19)23(24)25)30(26,27)22-16(2)14-28-3/h4,6-9,12-13,16,21-22H,5,10-11,14H2,1-3H3/t16-/m0/s1