[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-cyclopropyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 1-cyclopropyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-cyclopropyl-5-oxo-3-pyrrolidinecarboxylic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 1-cyclopropyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-cyclopropyl-5-keto-pyrrolidine-3-carboxylic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3CC(=O)N(C3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3CC(=O)N(C3)C4CC4

InChI

InChI=1S/C22H28ClN3O6S/c23-18-8-7-17(33(30,31)25-9-3-1-2-4-10-25)12-19(18)24-20(27)14-32-22(29)15-11-21(28)26(13-15)16-5-6-16/h7-8,12,15-16H,1-6,9-11,13-14H2,(H,24,27)