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

Systemtic Name: 4-[[(3S)-3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]pyridine-2-carboxamidine CAS Name: 4-[[(3S)-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]-2-pyridinecarboximidamide IUPAC Name: 4-[[(3S)-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-methylamino]-2-oxopyrrolidin-1-yl]methyl]pyridine-2-carboximidamide Traditional Name: 4-[[(3S)-3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-methyl-amino]-2-keto-pyrrolidino]methyl]picolinamidine Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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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=CC(=NC=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=CC(=NC=C4)C(=N)N

InChI

InChI=1S/C21H22ClN5O3S2/c1-12-15-10-14(22)3-4-18(15)31-21(12)32(29,30)26(2)17-6-8-27(20(17)28)11-13-5-7-25-16(9-13)19(23)24/h3-5,7,9-10,17H,6,8,11H2,1-2H3,(H3,23,24)/t17-/m0/s1