tert-butyl N-[(2R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropyl-amino]piperidine-1-carbonyl]-3-methyl-butyl]carbamate CAS Name: N-[(2R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropylamino]-1-piperidinyl]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1R)-1-[4-[(3-bromophenyl)sulfonyl-cyclopropyl-amino]piperidine-1-carbonyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C25H38BrN3O5S MolecularWeight: 572.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC(=CC=C3)Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H38BrN3O5S/c1-17(2)15-22(27-24(31)34-25(3,4)5)23(30)28-13-11-20(12-14-28)29(19-9-10-19)35(32,33)21-8-6-7-18(26)16-21/h6-8,16-17,19-20,22H,9-15H2,1-5H3,(H,27,31)/t22-/m1/s1