2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-21-8-10-22(11-9-21)35(31,32)29-14-2-1-3-15-29)19-28-13-4-6-23(28)20-7-12-24-25(18-20)34-17-5-16-33-24/h7-12,18,23H,1-6,13-17,19H2,(H,27,30)/p+1/t23-/m0/s1