[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[1-(1-naphthyl)ethylamino]ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H26N2O5S/c1-18(22-13-7-9-19-8-2-3-12-23(19)22)26-24(28)17-32-25(29)20-10-6-11-21(16-20)33(30,31)27-14-4-5-15-27/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H,26,28)