3-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-(p-tolylsulfonylamino)ethyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[2-(tosylamino)ethyl]indol-3-yl]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=C(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=C(C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-15-6-9-17(10-7-15)27(25,26)21-12-13-22-14-16(8-11-20(23)24)18-4-2-3-5-19(18)22/h2-7,9-10,14,21H,8,11-13H2,1H3,(H,23,24)