[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O5S/c1-16(21(26)23-18-8-10-19(11-9-18)24(2)3)30-22(27)17-6-12-20(13-7-17)31(28,29)25-14-4-5-15-25/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)/t16-/m0/s1