N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]propionamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N3O4S2/c1-12(21-27(23,24)14-9-7-13(25-2)8-10-14)18(22)19-11-17-20-15-5-3-4-6-16(15)26-17/h3-10,12,21H,11H2,1-2H3,(H,19,22)