2-azanyl-N-[6-chloranyl-1-(4-nitrophenyl)sulfonyl-2-(phenylcarbonyl)indol-1-ium-1-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[6-chloranyl-1-(4-nitrophenyl)sulfonyl-2-(phenylcarbonyl)indol-1-ium-1-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[2-benzoyl-6-chloro-1-(4-nitrophenyl)sulfonyl-indol-1-ium-1-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-benzoyl-6-chloro-1-(4-nitrophenyl)sulfonyl-1-indol-1-iumyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[2-benzoyl-6-chloro-1-(4-nitrophenyl)sulfonylindol-1-ium-1-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-(2-benzoyl-6-chloro-1-nosyl-indol-1-ium-1-yl)-3-phenyl-propionamide Formula: C30H24ClN4O6S+ MolecularWeight: 604.05276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N[N+]2(C(=CC3=C2C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N[N+]2(C(=CC3=C2C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])N

InChI

InChI=1S/C30H23ClN4O6S/c31-23-12-11-22-18-28(29(36)21-9-5-2-6-10-21)35(27(22)19-23,33-30(37)26(32)17-20-7-3-1-4-8-20)42(40,41)25-15-13-24(14-16-25)34(38)39/h1-16,18-19,26H,17,32H2/p+1