2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H33N3O5S/c1-20(2)28(18-21-7-4-3-5-8-21)25(29)19-26-11-13-27(14-12-26)34(30,31)22-9-10-23-24(17-22)33-16-6-15-32-23/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3/p+1