2-(aminomethyl)-N-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3,4-bis(fluoranyl)phenyl]pyrrolidine-1-sulfonamide

Systemtic Name: 2-(aminomethyl)-N-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3,4-bis(fluoranyl)phenyl]pyrrolidine-1-sulfonamide Openeye Name: 2-(aminomethyl)-N-[2-(2-chloro-4-iodo-anilino)-3,4-difluoro-phenyl]pyrrolidine-1-sulfonamide CAS Name: 2-(aminomethyl)-N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-1-pyrrolidinesulfonamide IUPAC Name: 2-(aminomethyl)-N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]pyrrolidine-1-sulfonamide Traditional Name: 2-(aminomethyl)-N-[2-(2-chloro-4-iodo-anilino)-3,4-difluoro-phenyl]pyrrolidine-1-sulfonamide Formula: C17H18ClF2IN4O2S MolecularWeight: 542.769696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)NC2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl)CN

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)NC2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl)CN

InChI

InChI=1S/C17H18ClF2IN4O2S/c18-12-8-10(21)3-5-14(12)23-17-15(6-4-13(19)16(17)20)24-28(26,27)25-7-1-2-11(25)9-22/h3-6,8,11,23-24H,1-2,7,9,22H2