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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(nosylamino)propionamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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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)CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-15-2-11-20-21(14-15)33-23(26-20)16-3-5-17(6-4-16)25-22(28)12-13-24-34(31,32)19-9-7-18(8-10-19)27(29)30/h2-11,14,24H,12-13H2,1H3,(H,25,28)