tert-butyl 4-[5-(4-methyl-1,3-thiazol-2-yl)-1-(phenylsulfonyl)indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(4-methyl-1,3-thiazol-2-yl)-1-(phenylsulfonyl)indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-5-(4-methylthiazol-2-yl)indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-5-(4-methyl-2-thiazolyl)-3-indolyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-5-(4-methyl-1,3-thiazol-2-yl)indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[1-besyl-5-(4-methylthiazol-2-yl)indol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=CC3=C(C=C2)N(C=C3C4=CCN(CC4)C(=O)OC(C)(C)C)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CSC(=N1)C2=CC3=C(C=C2)N(C=C3C4=CCN(CC4)C(=O)OC(C)(C)C)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4S2/c1-19-18-36-26(29-19)21-10-11-25-23(16-21)24(17-31(25)37(33,34)22-8-6-5-7-9-22)20-12-14-30(15-13-20)27(32)35-28(2,3)4/h5-12,16-18H,13-15H2,1-4H3