N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-(p-tolylsulfonylamino)propanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-(tosylamino)propionamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O4S2/c1-14-7-10-17(11-8-14)31(27,28)25-15(2)21(26)23-13-16-9-12-19(29-16)22-24-18-5-3-4-6-20(18)30-22/h3-12,15,25H,13H2,1-2H3,(H,23,26)