(2S)-1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-methylsulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-methylsulfonyl-amino]phenyl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[(7-carbamimidoyl-2-naphthyl)methyl-methylsulfonyl-amino]benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[4-[(7-carbamimidoyl-2-naphthalenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[(7-carbamimidoylnaphthalen-2-yl)methyl-methylsulfonylamino]benzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[(7-amidino-2-naphthyl)methyl-mesyl-amino]benzoyl]pyrrolidine-2-carboxamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=O)N4CCCC4C(=O)N

Isomeric SMILES

CS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=O)N4CCC[C@H]4C(=O)N

InChI

InChI=1S/C25H27N5O4S/c1-35(33,34)30(15-16-4-5-17-6-7-19(23(26)27)14-20(17)13-16)21-10-8-18(9-11-21)25(32)29-12-2-3-22(29)24(28)31/h4-11,13-14,22H,2-3,12,15H2,1H3,(H3,26,27)(H2,28,31)/t22-/m0/s1