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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c30-25(16-13-19-11-14-20(15-12-19)34(31,32)29-17-5-6-18-29)27-22-8-2-1-7-21(22)26-28-23-9-3-4-10-24(23)33-26/h1-4,7-12,14-15H,5-6,13,16-18H2,(H,27,30)