2-azanyl-N-[2-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide

Systemtic Name: 2-azanyl-N-[2-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 2-amino-N-[2-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 2-amino-N-[2-[[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 2-amino-N-[2-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-nitrobenzamide Traditional Name: 2-amino-N-[2-keto-2-[[(3R)-1-[4-(methylthio)benzyl]pyrrolidin-3-yl]amino]ethyl]-5-nitro-benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H25N5O4S/c1-31-17-5-2-14(3-6-17)12-25-9-8-15(13-25)24-20(27)11-23-21(28)18-10-16(26(29)30)4-7-19(18)22/h2-7,10,15H,8-9,11-13,22H2,1H3,(H,23,28)(H,24,27)/t15-/m1/s1