N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c1-15-8-10-16(11-9-15)29(26,27)22-13-12-20(25)24-14-4-6-18(24)21-23-17-5-2-3-7-19(17)28-21/h2-3,5,7-11,18,22H,4,6,12-14H2,1H3