N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C20H29N3O3S3 MolecularWeight: 455.65756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC(C2=CSC=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC(C2=CSC=C2)N(C)C

InChI

InChI=1S/C20H29N3O3S3/c1-15-5-7-17(8-6-15)29(25,26)22-18(10-11-27-4)20(24)21-13-19(23(2)3)16-9-12-28-14-16/h5-9,12,14,18-19,22H,10-11,13H2,1-4H3,(H,21,24)