aminocarbonyl-[2-[methyl-(phenylmethyl)amino]ethyl]-[2-(phenylsulfonyl)ethyl]-propan-2-yl-azanium

Systemtic Name: aminocarbonyl-[2-[methyl-(phenylmethyl)amino]ethyl]-[2-(phenylsulfonyl)ethyl]-propan-2-yl-azanium Openeye Name: 2-(benzenesulfonyl)ethyl-[2-[benzyl(methyl)amino]ethyl]-carbamoyl-isopropyl-ammonium CAS Name: 2-(benzenesulfonyl)ethyl-carbamoyl-[2-[methyl-(phenylmethyl)amino]ethyl]-propan-2-ylammonium IUPAC Name: 2-(benzenesulfonyl)ethyl-[2-[benzyl(methyl)amino]ethyl]-carbamoyl-propan-2-ylazanium Traditional Name: 2-[benzyl(methyl)amino]ethyl-(2-besylethyl)-carbamoyl-isopropyl-ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](CCN(C)CC1=CC=CC=C1)(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)[N+](CCN(C)CC1=CC=CC=C1)(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H31N3O3S/c1-19(2)25(22(23)26,15-14-24(3)18-20-10-6-4-7-11-20)16-17-29(27,28)21-12-8-5-9-13-21/h4-13,19H,14-18H2,1-3H3,(H-,23,26)/p+1