ditert-butyl 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1,4-dicarboxylate Openeye Name: ditert-butyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester Formula: C29H40ClN3O8S MolecularWeight: 626.1612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3

InChI

InChI=1S/C29H40ClN3O8S/c1-27(2,3)40-25(35)29(9-11-31(12-10-29)26(36)41-28(4,5)6)19-32-13-14-33(17-24(32)34)42(37,38)22-15-20-7-8-21(30)16-23(20)39-18-22/h7-8,15-16H,9-14,17-19H2,1-6H3