N-[3-(1,3-benzothiazol-2-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c25-21(22-13-5-8-20-23-18-6-1-2-7-19(18)28-20)16-9-11-17(12-10-16)29(26,27)24-14-3-4-15-24/h1-2,6-7,9-12H,3-5,8,13-15H2,(H,22,25)