[(2S)-1-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(5-indolin-1-ylsulfonyl-2-methoxy-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C43)OC

InChI

InChI=1S/C27H31N3O4S/c1-29(2)22(17-20-9-5-4-6-10-20)19-28-27(31)24-18-23(13-14-26(24)34-3)35(32,33)30-16-15-21-11-7-8-12-25(21)30/h4-14,18,22H,15-17,19H2,1-3H3,(H,28,31)/p+1/t22-/m0/s1