4-[[(3S)-3-[(7-azanylnaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide

Systemtic Name: 4-[[(3S)-3-[(7-azanylnaphthalen-2-yl)sulfonyl-(phenylmethyl)amino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Openeye Name: 4-[[(3S)-3-[(7-amino-2-naphthyl)sulfonyl-benzyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]thiophene-2-carboxamidine CAS Name: 4-[[(3S)-3-[(7-amino-2-naphthalenyl)sulfonyl-(phenylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]-2-thiophenecarboximidamide IUPAC Name: 4-[[(3S)-3-[(7-aminonaphthalen-2-yl)sulfonyl-benzylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide Traditional Name: 4-[[(3S)-3-[(7-amino-2-naphthyl)sulfonyl-benzyl-amino]-2-keto-pyrrolidino]methyl]thiophene-2-carboxamidine Formula: C27H27N5O3S2 MolecularWeight: 533.66498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=CC(=C4)N)C=C3)CC5=CSC(=C5)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=CC(=C4)N)C=C3)CC5=CSC(=C5)C(=N)N

InChI

InChI=1S/C27H27N5O3S2/c28-22-8-6-20-7-9-23(14-21(20)13-22)37(34,35)32(16-18-4-2-1-3-5-18)24-10-11-31(27(24)33)15-19-12-25(26(29)30)36-17-19/h1-9,12-14,17,24H,10-11,15-16,28H2,(H3,29,30)/t24-/m0/s1