[1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)-sulfonyl-azanium

Systemtic Name: [1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)-sulfonyl-azanium Openeye Name: benzyl-[1-[3-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-sulfonyl-ammonium CAS Name: [1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(phenylmethyl)-sulfonylammonium IUPAC Name: benzyl-[1-[3-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-sulfonylazanium Traditional Name: [1-[3-(2-amidino-4-carbobenzoxy-phenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-benzyl-sulfonyl-ammonium Formula: C34H33N4O5S+ MolecularWeight: 609.71462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=S(=O)=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=S(=O)=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C34H33N4O5S/c35-33(36)30-21-28(34(40)43-23-25-10-5-2-6-11-25)14-13-26(30)15-18-32(39)37-19-7-12-27-20-29(16-17-31(27)37)38(44(41)42)22-24-8-3-1-4-9-24/h1-6,8-11,13-14,16-17,20-21H,7,12,15,18-19,22-23H2,(H3,35,36)/q+1