3-(7aH-indol-3-yl)-2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(7aH-indol-3-yl)-2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(7aH-indol-3-yl)-2-[[4-(4-phenyl-1-piperidyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(7aH-indol-3-yl)-2-[[4-(4-phenyl-1-piperidinyl)phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(7aH-indol-3-yl)-2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(7aH-indol-3-yl)-2-[[4-(4-phenylpiperidino)phenyl]sulfonylamino]propionic acid Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC4=C5C=CC=CC5N=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC4=C5C=CC=CC5N=C4)C(=O)O

InChI

InChI=1S/C28H29N3O4S/c32-28(33)27(18-22-19-29-26-9-5-4-8-25(22)26)30-36(34,35)24-12-10-23(11-13-24)31-16-14-21(15-17-31)20-6-2-1-3-7-20/h1-13,19,21,26-27,30H,14-18H2,(H,32,33)