dimethyl-[(1S)-2-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[(2R)-2-methyl-1-methylsulfonyl-indoline-5-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[[(2R)-1-mesyl-2-methyl-indoline-5-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C19H25N3O3S2/c1-13-9-16-10-14(5-6-17(16)22(13)27(4,24)25)19(23)20-11-18(21(2)3)15-7-8-26-12-15/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,20,23)/p+1/t13-,18-/m1/s1