(2S)-N-(2-azanylethyl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2-azanylethyl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2S)-N-(2-aminoethyl)-3-benzylsulfanyl-2-[(4-methyl-1-naphthyl)sulfonylamino]propanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[(4-methyl-1-naphthalenyl)sulfonylamino]-3-(phenylmethylthio)propanamide IUPAC Name: (2S)-N-(2-aminoethyl)-3-benzylsulfanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanamide Traditional Name: (2S)-N-(2-aminoethyl)-3-(benzylthio)-2-[(4-methyl-1-naphthyl)sulfonylamino]propionamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)NC(CSCC3=CC=CC=C3)C(=O)NCCN

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N[C@H](CSCC3=CC=CC=C3)C(=O)NCCN

InChI

InChI=1S/C23H27N3O3S2/c1-17-11-12-22(20-10-6-5-9-19(17)20)31(28,29)26-21(23(27)25-14-13-24)16-30-15-18-7-3-2-4-8-18/h2-12,21,26H,13-16,24H2,1H3,(H,25,27)/t21-/m1/s1