tert-butyl 5-[[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-chlorophenyl)sulfonyl-amino]methyl]-2-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-[[[(2R)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-chlorophenyl)sulfonyl-amino]methyl]-2-methyl-indole-1-carboxylate Openeye Name: tert-butyl 5-[[[(1R)-1-carbamoyl-3-methyl-butyl]-(4-chlorophenyl)sulfonyl-amino]methyl]-2-methyl-indole-1-carboxylate CAS Name: 5-[[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]methyl]-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-(4-chlorophenyl)sulfonylamino]methyl]-2-methylindole-1-carboxylate Traditional Name: 5-[[[(1R)-1-carbamoyl-3-methyl-butyl]-(4-chlorophenyl)sulfonyl-amino]methyl]-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C27H34ClN3O5S MolecularWeight: 548.09396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN(C(CC(C)C)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CN([C@H](CC(C)C)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H34ClN3O5S/c1-17(2)13-24(25(29)32)30(37(34,35)22-10-8-21(28)9-11-22)16-19-7-12-23-20(15-19)14-18(3)31(23)26(33)36-27(4,5)6/h7-12,14-15,17,24H,13,16H2,1-6H3,(H2,29,32)/t24-/m1/s1