3-[[3-[(5-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[3-[(5-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[3-[(5-methylbenzothiophen-2-yl)sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[3-[(5-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[3-[(5-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[2-keto-3-[(5-methylbenzothiophen-2-yl)sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H22N4O3S2/c1-13-5-6-18-16(9-13)11-19(29-18)30(27,28)24-17-7-8-25(21(17)26)12-14-3-2-4-15(10-14)20(22)23/h2-6,9-11,17,24H,7-8,12H2,1H3,(H3,22,23)