N,N-bis(3-methylbutyl)-N'-thiophen-2-ylsulfonyl-benzenecarboximidamide

Systemtic Name: N,N-bis(3-methylbutyl)-N'-thiophen-2-ylsulfonyl-benzenecarboximidamide Openeye Name: N,N-diisopentyl-N'-(2-thienylsulfonyl)benzamidine CAS Name: N,N-bis(3-methylbutyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide IUPAC Name: N,N-bis(3-methylbutyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide Traditional Name: N,N-diisoamyl-N'-(2-thienylsulfonyl)benzamidine Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)C(=NS(=O)(=O)C1=CC=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CCC(C)C)/C(=N/S(=O)(=O)C1=CC=CS1)/C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O2S2/c1-17(2)12-14-23(15-13-18(3)4)21(19-9-6-5-7-10-19)22-27(24,25)20-11-8-16-26-20/h5-11,16-18H,12-15H2,1-4H3/b22-21+