tert-butyl 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[1-(3-chlorophenyl)sulfonyl-4-indolyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[1-(3-chlorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H30ClN3O4S/c1-25(2,3)33-24(30)28-14-11-19(12-15-28)27(4)22-9-6-10-23-21(22)13-16-29(23)34(31,32)20-8-5-7-18(26)17-20/h5-10,13,16-17,19H,11-12,14-15H2,1-4H3