N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(1,3-benzoxazol-2-yl)isonipecotamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H30N4O4S/c30-24(19-12-16-28(17-13-19)25-27-22-10-3-4-11-23(22)33-25)26-20-8-7-9-21(18-20)34(31,32)29-14-5-1-2-6-15-29/h3-4,7-11,18-19H,1-2,5-6,12-17H2,(H,26,30)