tert-butyl 3-(1-pyridin-3-ylsulfonylindol-5-yl)azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-(1-pyridin-3-ylsulfonylindol-5-yl)azetidine-1-carboxylate Openeye Name: tert-butyl 3-[1-(3-pyridylsulfonyl)indol-5-yl]azetidine-1-carboxylate CAS Name: 3-[1-(3-pyridinylsulfonyl)-5-indolyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-pyridin-3-ylsulfonylindol-5-yl)azetidine-1-carboxylate Traditional Name: 3-[1-(3-pyridylsulfonyl)indol-5-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)23-13-17(14-23)15-6-7-19-16(11-15)8-10-24(19)29(26,27)18-5-4-9-22-12-18/h4-12,17H,13-14H2,1-3H3