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

Systemtic Name: 2-azanyl-N-[6-chloranyl-1-(4-methylphenyl)sulfonyl-2-(phenylcarbonyl)indol-1-ium-1-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[2-benzoyl-6-chloro-1-(p-tolylsulfonyl)indol-1-ium-1-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-benzoyl-6-chloro-1-(4-methylphenyl)sulfonyl-1-indol-1-iumyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[2-benzoyl-6-chloro-1-(4-methylphenyl)sulfonylindol-1-ium-1-yl]-3-phenylpropanamide Traditional Name: 2-amino-N-(2-benzoyl-6-chloro-1-tosyl-indol-1-ium-1-yl)-3-phenyl-propionamide Formula: C31H27ClN3O4S+ MolecularWeight: 573.08178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C(=CC3=C2C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C(=CC3=C2C=C(C=C3)Cl)C(=O)C4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C31H26ClN3O4S/c1-21-12-16-26(17-13-21)40(38,39)35(34-31(37)27(33)18-22-8-4-2-5-9-22)28-20-25(32)15-14-24(28)19-29(35)30(36)23-10-6-3-7-11-23/h2-17,19-20,27H,18,33H2,1H3/p+1