2-[2-methylpropyl-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[2-methylpropyl-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonyl-amino]ethanoic acid Openeye Name: 2-[isobutyl-[4-(4-phenyl-1-piperidyl)phenyl]sulfonyl-amino]acetic acid CAS Name: 2-[2-methylpropyl-[4-(4-phenyl-1-piperidinyl)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[2-methylpropyl-[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[isobutyl-[4-(4-phenylpiperidino)phenyl]sulfonyl-amino]acetic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S/c1-18(2)16-25(17-23(26)27)30(28,29)22-10-8-21(9-11-22)24-14-12-20(13-15-24)19-6-4-3-5-7-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,27)