2-chloranyl-3-phenyl-1-(phenylmethyl)-4-sulfosulfonyl-indole

Systemtic Name: 2-chloranyl-3-phenyl-1-(phenylmethyl)-4-sulfosulfonyl-indole Openeye Name: 1-benzyl-2-chloro-3-phenyl-4-sulfosulfonyl-indole CAS Name: 2-chloro-3-phenyl-1-(phenylmethyl)-4-sulfosulfonylindole IUPAC Name: 1-benzyl-2-chloro-3-phenyl-4-sulfosulfonylindole Traditional Name: 1-benzyl-2-chloro-3-phenyl-4-sulfosulfonyl-indole Formula: C21H16ClNO5S2 MolecularWeight: 461.93844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)S(=O)(=O)S(=O)(=O)O)C(=C2Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)S(=O)(=O)S(=O)(=O)O)C(=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClNO5S2/c22-21-19(16-10-5-2-6-11-16)20-17(23(21)14-15-8-3-1-4-9-15)12-7-13-18(20)29(24,25)30(26,27)28/h1-13H,14H2,(H,26,27,28)