2-azanyl-N-[6-chloranyl-1-naphthalen-1-ylsulfonyl-2-(phenylcarbonyl)indol-1-ium-1-yl]-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[6-chloranyl-1-naphthalen-1-ylsulfonyl-2-(phenylcarbonyl)indol-1-ium-1-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-[2-benzoyl-6-chloro-1-(1-naphthylsulfonyl)indol-1-ium-1-yl]-3-phenyl-propanamide CAS Name: 2-amino-N-[2-benzoyl-6-chloro-1-(1-naphthalenylsulfonyl)-1-indol-1-iumyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-(2-benzoyl-6-chloro-1-naphthalen-1-ylsulfonylindol-1-ium-1-yl)-3-phenylpropanamide Traditional Name: 2-amino-N-[2-benzoyl-6-chloro-1-(1-naphthylsulfonyl)indol-1-ium-1-yl]-3-phenyl-propionamide Formula: C34H27ClN3O4S+ MolecularWeight: 609.11388

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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=CC6=CC=CC=C65)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=CC6=CC=CC=C65)N

InChI

InChI=1S/C34H26ClN3O4S/c35-27-19-18-26-21-31(33(39)25-13-5-2-6-14-25)38(30(26)22-27,37-34(40)29(36)20-23-10-3-1-4-11-23)43(41,42)32-17-9-15-24-12-7-8-16-28(24)32/h1-19,21-22,29H,20,36H2/p+1