tert-butyl 5-chloranyl-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)piperidin-1-yl]-3-oxidanylidene-propyl]sulfonyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)piperidin-1-yl]-3-oxidanylidene-propyl]sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)-1-piperidyl]-3-oxo-propyl]sulfonyl-indole-1-carboxylate CAS Name: 5-chloro-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)-1-piperidinyl]-3-oxopropyl]sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)piperidin-1-yl]-3-oxopropyl]sulfonylindole-1-carboxylate Traditional Name: 5-chloro-2-[3-[4-(2,5-dimethyl-1H-imidazol-4-yl)piperidino]-3-keto-propyl]sulfonyl-indole-1-carboxylic acid tert-butyl ester Formula: C26H33ClN4O5S MolecularWeight: 549.08202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C)C2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(N3C(=O)OC(C)(C)C)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(N=C(N1)C)C2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(N3C(=O)OC(C)(C)C)C=CC(=C4)Cl

InChI

InChI=1S/C26H33ClN4O5S/c1-16-24(29-17(2)28-16)18-8-11-30(12-9-18)22(32)10-13-37(34,35)23-15-19-14-20(27)6-7-21(19)31(23)25(33)36-26(3,4)5/h6-7,14-15,18H,8-13H2,1-5H3,(H,28,29)