N-(1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c24-19(22-20-21-17-5-1-2-6-18(17)27-20)12-9-15-7-10-16(11-8-15)28(25,26)23-13-3-4-14-23/h1-2,5-8,10-11H,3-4,9,12-14H2,(H,21,22,24)