N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]benzenesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O4S2/c1-14(25)15-8-10-16(11-9-15)30(27,28)22-13-20(26)24-12-4-6-18(24)21-23-17-5-2-3-7-19(17)29-21/h2-3,5,7-11,18,22H,4,6,12-13H2,1H3/t18-/m0/s1