N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O4S2/c26-21(23-12-11-22-24-19-3-1-2-4-20(19)30-22)10-7-17-5-8-18(9-6-17)31(27,28)25-13-15-29-16-14-25/h1-6,8-9H,7,10-16H2,(H,23,26)