(2S)-2-azanyl-N-[(E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[(E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[(E,1S)-3-(benzenesulfonyl)-1-phenethyl-allyl]propanamide CAS Name: (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[(E,1S)-3-besyl-1-phenethyl-allyl]propionamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C20H24N2O3S/c1-16(21)20(23)22-18(13-12-17-8-4-2-5-9-17)14-15-26(24,25)19-10-6-3-7-11-19/h2-11,14-16,18H,12-13,21H2,1H3,(H,22,23)/b15-14+/t16-,18-/m0/s1