tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]sulfonyl]-2-(1,3-dioxolan-2-ylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(1-besyl-5-chloro-indol-2-yl)sulfonyl-2-(1,3-dioxolan-2-ylmethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32ClN3O8S2 MolecularWeight: 626.14128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2OCCO2)S(=O)(=O)C3=CC4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CC2OCCO2)S(=O)(=O)C3=CC4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C27H32ClN3O8S2/c1-27(2,3)39-26(32)30-12-11-29(18-21(30)17-25-37-13-14-38-25)41(35,36)24-16-19-15-20(28)9-10-23(19)31(24)40(33,34)22-7-5-4-6-8-22/h4-10,15-16,21,25H,11-14,17-18H2,1-3H3