1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-guanidine

Systemtic Name: 1-[2-(phenylsulfonyl)ethyl]-1-propan-2-yl-guanidine Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1-isopropyl-guanidine CAS Name: 1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylguanidine IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-1-propan-2-ylguanidine Traditional Name: 1-(2-besylethyl)-1-isopropyl-guanidine Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=N)N

Isomeric SMILES

CC(C)N(CCS(=O)(=O)C1=CC=CC=C1)C(=N)N

InChI

InChI=1S/C12H19N3O2S/c1-10(2)15(12(13)14)8-9-18(16,17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,13,14)