[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N3O5S/c1-20(26(31)29-17-15-28(16-18-29)23-9-3-2-4-10-23)34-25(30)13-14-27-35(32,33)24-12-11-21-7-5-6-8-22(21)19-24/h2-12,19-20,27H,13-18H2,1H3