3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(1,3-benzoxazol-2-yl)piperidino]propan-1-one Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H33N3O4S/c31-26(29-19-15-22(16-20-29)27-28-24-7-3-4-8-25(24)34-27)14-11-21-9-12-23(13-10-21)35(32,33)30-17-5-1-2-6-18-30/h3-4,7-10,12-13,22H,1-2,5-6,11,14-20H2