ethyl 1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H28ClN3O5S/c1-2-29-20(26)15-6-5-9-23(13-15)14-19(25)22-18-12-16(7-8-17(18)21)30(27,28)24-10-3-4-11-24/h7-8,12,15H,2-6,9-11,13-14H2,1H3,(H,22,25)