[3-azanyl-1-(2-methylpropylamino)-4-phenyl-1-sulfonyl-butan-2-yl] methanesulfonate

Systemtic Name: [3-azanyl-1-(2-methylpropylamino)-4-phenyl-1-sulfonyl-butan-2-yl] methanesulfonate Openeye Name: [2-amino-1-[(isobutylamino)-sulfonyl-methyl]-3-phenyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-amino-1-(2-methylpropylamino)-4-phenyl-1-sulfonylbutan-2-yl] ester IUPAC Name: [3-amino-1-(2-methylpropylamino)-4-phenyl-1-sulfonylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-amino-1-[(isobutylamino)-sulfonyl-methyl]-3-phenyl-propyl] ester Formula: C15H24N2O5S2 MolecularWeight: 376.49146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S(=O)=O)C(C(CC1=CC=CC=C1)N)OS(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=S(=O)=O)C(C(CC1=CC=CC=C1)N)OS(=O)(=O)C

InChI

InChI=1S/C15H24N2O5S2/c1-11(2)10-17-15(23(18)19)14(22-24(3,20)21)13(16)9-12-7-5-4-6-8-12/h4-8,11,13-14,17H,9-10,16H2,1-3H3