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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-19(20-7-4-3-5-8-20)25(2)24(28)18-26-11-13-27(14-12-26)33(29,30)21-9-10-22-23(17-21)32-16-6-15-31-22/h3-5,7-10,17,19H,6,11-16,18H2,1-2H3/p+1/t19-/m0/s1