1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H28N2O3S2/c26-23(25-17-6-18-29-22-8-3-2-7-21(22)25)14-11-19-9-12-20(13-10-19)30(27,28)24-15-4-1-5-16-24/h2-3,7-10,12-13H,1,4-6,11,14-18H2