tert-butyl 2-(phenylsulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(phenylsulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate Openeye Name: tert-butyl 2-(benzenesulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate CAS Name: 2-(benzenesulfonyl)-4-[2-(1-pyrrolidinyl)ethoxy]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonyl)-4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate Traditional Name: 2-besyl-4-(2-pyrrolidinoethoxy)indole-1-carboxylic acid tert-butyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1S(=O)(=O)C3=CC=CC=C3)C(=CC=C2)OCCN4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1S(=O)(=O)C3=CC=CC=C3)C(=CC=C2)OCCN4CCCC4

InChI

InChI=1S/C25H30N2O5S/c1-25(2,3)32-24(28)27-21-12-9-13-22(31-17-16-26-14-7-8-15-26)20(21)18-23(27)33(29,30)19-10-5-4-6-11-19/h4-6,9-13,18H,7-8,14-17H2,1-3H3