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(phenylmethyl) 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate

(phenylmethyl) 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate

Systemtic Name:(phenylmethyl) 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate
Openeye Name:benzyl 3-carbamimidoyl-4-[3-oxo-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate
CAS Name:3-carbamimidoyl-4-[3-oxo-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoic acid (phenylmethyl) ester
IUPAC Name:benzyl 3-carbamimidoyl-4-[3-oxo-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate
Traditional Name:3-amidino-4-[3-keto-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoic acid benzyl ester
Formula: C27H26N4O5S
MolecularWeight: 518.58414
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N=S(=O)=O)N(C1)C(=O)CCC3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N


Isomeric SMILES

C1CC2=C(C=CC(=C2)N=S(=O)=O)N(C1)C(=O)CCC3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N


InChI

InChI=1S/C27H26N4O5S/c28-26(29)23-16-21(27(33)36-17-18-5-2-1-3-6-18)9-8-19(23)10-13-25(32)31-14-4-7-20-15-22(30-37(34)35)11-12-24(20)31/h1-3,5-6,8-9,11-12,15-16H,4,7,10,13-14,17H2,(H3,28,29)


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