4-[[(3S)-3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C20H21ClN4O3S3 MolecularWeight: 497.05374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N(C)C3CCN(C3=O)CC4=CSC(=C4)C(=N)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N(C)[C@H]3CCN(C3=O)CC4=CSC(=C4)C(=N)N

InChI

InChI=1S/C20H21ClN4O3S3/c1-11-14-8-13(21)3-4-16(14)30-20(11)31(27,28)24(2)15-5-6-25(19(15)26)9-12-7-17(18(22)23)29-10-12/h3-4,7-8,10,15H,5-6,9H2,1-2H3,(H3,22,23)/t15-/m0/s1