tert-butyl 3-[[4-(2-azanylpiperidin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: tert-butyl 3-[[4-(2-azanylpiperidin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: tert-butyl 3-[[4-(2-amino-1-piperidyl)benzoyl]amino]-2-(benzenesulfonamido)propanoate CAS Name: 3-[[[4-(2-amino-1-piperidinyl)phenyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(2-aminopiperidin-1-yl)benzoyl]amino]-2-(benzenesulfonamido)propanoate Traditional Name: 3-[[4-(2-aminopiperidino)benzoyl]amino]-2-(benzenesulfonamido)propionic acid tert-butyl ester Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)N2CCCCC2N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)N2CCCCC2N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O5S/c1-25(2,3)34-24(31)21(28-35(32,33)20-9-5-4-6-10-20)17-27-23(30)18-12-14-19(15-13-18)29-16-8-7-11-22(29)26/h4-6,9-10,12-15,21-22,28H,7-8,11,16-17,26H2,1-3H3,(H,27,30)