3-(1H-indol-1-ium-3-yl)-2-[[4-(4-pyrrolidin-1-ium-1-ylphenyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-1-ium-3-yl)-2-[[4-(4-pyrrolidin-1-ium-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(1H-indol-1-ium-3-yl)-2-[[4-(4-pyrrolidin-1-ium-1-ylphenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1H-indol-1-ium-3-yl)-2-[[4-[4-(1-pyrrolidin-1-iumyl)phenyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1H-indol-1-ium-3-yl)-2-[[4-(4-pyrrolidin-1-ium-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-(1H-indol-1-ium-3-yl)-2-[[4-(4-pyrrolidin-1-ium-1-ylphenyl)phenyl]sulfonylamino]propionic acid Formula: C27H29N3O4S+2 MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC4=C[NH2+]C5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC[NH+](C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CC4=C[NH2+]C5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H27N3O4S/c31-27(32)26(17-21-18-28-25-6-2-1-5-24(21)25)29-35(33,34)23-13-9-20(10-14-23)19-7-11-22(12-8-19)30-15-3-4-16-30/h1-2,5-14,18,26,28-29H,3-4,15-17H2,(H,31,32)/p+2