N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-3-piperidinosulfonyl-benzamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[N+]3=C(C4=CC=CC=C4C3)N

InChI

InChI=1S/C20H22N4O3S/c21-19-18-10-3-2-7-16(18)14-24(19)22-20(25)15-8-6-9-17(13-15)28(26,27)23-11-4-1-5-12-23/h2-3,6-10,13,21H,1,4-5,11-12,14H2,(H,22,25)/p+1