3-[[(3S)-3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[(5-chlorobenzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-3-[(5-chlorobenzothiophen-2-yl)sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]benzamidine Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CN([C@H]1CCN(C1=O)CC2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-25(31(28,29)19-11-15-10-16(22)5-6-18(15)30-19)17-7-8-26(21(17)27)12-13-3-2-4-14(9-13)20(23)24/h2-6,9-11,17H,7-8,12H2,1H3,(H3,23,24)/t17-/m0/s1