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

Systemtic Name: tert-butyl 5-chloranyl-2-[3-[4-(2-methyl-1H-imidazol-5-yl)piperidin-1-yl]-3-oxidanylidene-propyl]sulfonyl-indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-[3-[4-(2-methyl-1H-imidazol-5-yl)-1-piperidyl]-3-oxo-propyl]sulfonyl-indole-1-carboxylate CAS Name: 5-chloro-2-[3-[4-(2-methyl-1H-imidazol-5-yl)-1-piperidinyl]-3-oxopropyl]sulfonyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-[3-[4-(2-methyl-1H-imidazol-5-yl)piperidin-1-yl]-3-oxopropyl]sulfonylindole-1-carboxylate Traditional Name: 5-chloro-2-[3-keto-3-[4-(2-methyl-1H-imidazol-5-yl)piperidino]propyl]sulfonyl-indole-1-carboxylic acid tert-butyl ester Formula: C25H31ClN4O5S MolecularWeight: 535.05544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O5S/c1-16-27-15-20(28-16)17-7-10-29(11-8-17)22(31)9-12-36(33,34)23-14-18-13-19(26)5-6-21(18)30(23)24(32)35-25(2,3)4/h5-6,13-15,17H,7-12H2,1-4H3,(H,27,28)