tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-3-(pyrrolidin-3-ylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-3-(pyrrolidin-3-ylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-3-(pyrrolidin-3-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-3-(3-pyrrolidinylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-3-(pyrrolidin-3-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-3-(pyrrolidin-3-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2CCNC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2CCNC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C24H30ClN3O5S/c1-24(2,3)33-23(30)27-10-11-28(21(22(27)29)12-16-8-9-26-15-16)34(31,32)20-7-5-17-13-19(25)6-4-18(17)14-20/h4-7,13-14,16,21,26H,8-12,15H2,1-3H3