ethyl 2-[(8-chloranylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(8-chloranylnaphthalen-1-yl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(8-chloro-1-naphthyl)sulfonylamino]propanoate CAS Name: 2-[(8-chloro-1-naphthalenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(8-chloronaphthalen-1-yl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(8-chloro-1-naphthyl)sulfonylamino]propionic acid ethyl ester Formula: C22H22ClNO4S2 MolecularWeight: 463.99738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C22H22ClNO4S2/c1-2-28-22(25)19(15-29-14-16-8-4-3-5-9-16)24-30(26,27)20-13-7-11-17-10-6-12-18(23)21(17)20/h3-13,19,24H,2,14-15H2,1H3