(phenylmethyl) N-[(2S)-1-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[allyl(p-tolylsulfonyl)amino]-1-methyl-ethyl]carbamate CAS Name: N-[(2S)-1-[(4-methylphenyl)sulfonyl-prop-2-enylamino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(4-methylphenyl)sulfonyl-prop-2-enylamino]propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[allyl(tosyl)amino]-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C[C@H](C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-4-14-23(28(25,26)20-12-10-17(2)11-13-20)15-18(3)22-21(24)27-16-19-8-6-5-7-9-19/h4-13,18H,1,14-16H2,2-3H3,(H,22,24)/t18-/m0/s1