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

Systemtic Name: 2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-thiophen-2-ylsulfonyl-azanium Openeye Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-(2-thienylsulfonyl)ammonium CAS Name: (2-butoxy-1-oxoethyl)-(5,6-diphenyl-2-pyrazinyl)-(propan-2-ylamino)-thiophen-2-ylsulfonylammonium IUPAC Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-thiophen-2-ylsulfonylazanium Traditional Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-(2-thienylsulfonyl)ammonium Formula: C29H33N4O4S2+ MolecularWeight: 565.72672

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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)C4=CC=CS4

Isomeric SMILES

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C29H33N4O4S2/c1-4-5-18-37-21-26(34)33(32-22(2)3,39(35,36)27-17-12-19-38-27)25-20-30-28(23-13-8-6-9-14-23)29(31-25)24-15-10-7-11-16-24/h6-17,19-20,22,32H,4-5,18,21H2,1-3H3/q+1