N-[2-(cyclopentylamino)ethyl]-2-oxidanylidene-3-(phenylmethyl)-1,3-benzothiazole-7-sulfonamide

Systemtic Name: N-[2-(cyclopentylamino)ethyl]-2-oxidanylidene-3-(phenylmethyl)-1,3-benzothiazole-7-sulfonamide Openeye Name: 3-benzyl-N-[2-(cyclopentylamino)ethyl]-2-oxo-1,3-benzothiazole-7-sulfonamide CAS Name: N-[2-(cyclopentylamino)ethyl]-2-oxo-3-(phenylmethyl)-1,3-benzothiazole-7-sulfonamide IUPAC Name: 3-benzyl-N-[2-(cyclopentylamino)ethyl]-2-oxo-1,3-benzothiazole-7-sulfonamide Traditional Name: 3-benzyl-N-[2-(cyclopentylamino)ethyl]-2-keto-1,3-benzothiazole-7-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCCNS(=O)(=O)C2=CC=CC3=C2SC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NCCNS(=O)(=O)C2=CC=CC3=C2SC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S2/c25-21-24(15-16-7-2-1-3-8-16)18-11-6-12-19(20(18)28-21)29(26,27)23-14-13-22-17-9-4-5-10-17/h1-3,6-8,11-12,17,22-23H,4-5,9-10,13-15H2