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

Systemtic Name: naphthalene; (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; naphthalene CAS Name: 3-carbamimidoyl-4-[3-oxo-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoic acid (phenylmethyl) ester; naphthalene IUPAC Name: benzyl 3-carbamimidoyl-4-[3-oxo-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate; naphthalene Traditional Name: 3-amidino-4-[3-keto-3-[6-(sulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoic acid benzyl ester; naphthalene Formula: C37H34N4O5S MolecularWeight: 646.75466

Click to see the large picture

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.C1=CC=C2C=CC=CC2=C1

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.C1=CC=C2C=CC=CC2=C1

InChI

InChI=1S/C27H26N4O5S.C10H8/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;1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-6,8-9,11-12,15-16H,4,7,10,13-14,17H2,(H3,28,29);1-8H