methyl (1Z,2S,3S)-N-[4-(dimethylamino)naphthalen-1-yl]sulfonyl-4-nitro-2,3-diphenyl-butanimidate

Systemtic Name: methyl (1Z,2S,3S)-N-[4-(dimethylamino)naphthalen-1-yl]sulfonyl-4-nitro-2,3-diphenyl-butanimidate Openeye Name: methyl (1Z,2S,3S)-N-[[4-(dimethylamino)-1-naphthyl]sulfonyl]-4-nitro-2,3-diphenyl-butanimidate CAS Name: (1Z,2S,3S)-N-[[4-(dimethylamino)-1-naphthalenyl]sulfonyl]-4-nitro-2,3-diphenylbutanimidic acid methyl ester IUPAC Name: methyl (1Z,2S,3S)-N-[4-(dimethylamino)naphthalen-1-yl]sulfonyl-4-nitro-2,3-diphenylbutanimidate Traditional Name: (1Z,2S,3S)-N-[[4-(dimethylamino)-1-naphthyl]sulfonyl]-4-nitro-2,3-diphenyl-butyrimidic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N=C(C(C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)/N=C(/[C@H](C3=CC=CC=C3)[C@H](C[N+](=O)[O-])C4=CC=CC=C4)\OC

InChI

InChI=1S/C29H29N3O5S/c1-31(2)26-18-19-27(24-17-11-10-16-23(24)26)38(35,36)30-29(37-3)28(22-14-8-5-9-15-22)25(20-32(33)34)21-12-6-4-7-13-21/h4-19,25,28H,20H2,1-3H3/b30-29-/t25-,28-/m1/s1