N-[(2S)-5-azanyl-1-(phenylmethylsulfanyl)pentan-2-yl]-4-methyl-naphthalene-1-sulfonamide

Systemtic Name: N-[(2S)-5-azanyl-1-(phenylmethylsulfanyl)pentan-2-yl]-4-methyl-naphthalene-1-sulfonamide Openeye Name: N-[(1S)-4-amino-1-(benzylsulfanylmethyl)butyl]-4-methyl-naphthalene-1-sulfonamide CAS Name: N-[(2S)-5-amino-1-(phenylmethylthio)pentan-2-yl]-4-methyl-1-naphthalenesulfonamide IUPAC Name: N-[(2S)-5-amino-1-benzylsulfanylpentan-2-yl]-4-methylnaphthalene-1-sulfonamide Traditional Name: N-[(1S)-4-amino-1-[(benzylthio)methyl]butyl]-4-methyl-naphthalene-1-sulfonamide Formula: C23H28N2O2S2 MolecularWeight: 428.61062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2S2/c1-18-13-14-23(22-12-6-5-11-21(18)22)29(26,27)25-20(10-7-15-24)17-28-16-19-8-3-2-4-9-19/h2-6,8-9,11-14,20,25H,7,10,15-17,24H2,1H3/t20-/m0/s1