2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-propan-2-ylsulfonyl-azanium

Systemtic Name: 2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-propan-2-ylsulfonyl-azanium Openeye Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-isopropylsulfonyl-ammonium CAS Name: (2-butoxy-1-oxoethyl)-(5,6-diphenyl-2-pyrazinyl)-(propan-2-ylamino)-propan-2-ylsulfonylammonium IUPAC Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-propan-2-ylsulfonylazanium Traditional Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-isopropylsulfonyl-ammonium Formula: C28H37N4O4S+ MolecularWeight: 525.68278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)C(C)C

Isomeric SMILES

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)C(C)C

InChI

InChI=1S/C28H37N4O4S/c1-6-7-18-36-20-26(33)32(31-21(2)3,37(34,35)22(4)5)25-19-29-27(23-14-10-8-11-15-23)28(30-25)24-16-12-9-13-17-24/h8-17,19,21-22,31H,6-7,18,20H2,1-5H3/q+1