3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]propyl]-methyl-ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-25(18-19-9-4-3-5-10-19)14-8-13-24-23(27)20-11-12-21(30-2)22(17-20)31(28,29)26-15-6-7-16-26/h3-5,9-12,17H,6-8,13-16,18H2,1-2H3,(H,24,27)/p+1