N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C27H25N3O5S2 MolecularWeight: 535.6345

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H25N3O5S2/c31-26(28-21-6-2-1-5-20(21)27-29-22-7-3-4-8-25(22)36-27)18-11-13-30(14-12-18)37(32,33)19-9-10-23-24(17-19)35-16-15-34-23/h1-10,17-18H,11-16H2,(H,28,31)