4-(1,3-benzothiazol-2-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

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