dimethyl-[(1R)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[(4-pyrrolidinosulfonylbenzoyl)amino]-1-(2-thienyl)ethyl]ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c1-21(2)17(18-6-5-13-26-18)14-20-19(23)15-7-9-16(10-8-15)27(24,25)22-11-3-4-12-22/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1