[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N2O5S/c1-13(14-7-8-14)19-17(21)12-25-18(22)15-5-4-6-16(11-15)26(23,24)20-9-2-3-10-20/h4-6,11,13-14H,2-3,7-10,12H2,1H3,(H,19,21)/t13-/m1/s1