N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-besyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O3S2/c1-16-7-12-20-21(15-16)29-23(25-20)17-8-10-18(11-9-17)24-22(26)13-14-30(27,28)19-5-3-2-4-6-19/h2-12,15H,13-14H2,1H3,(H,24,26)