2-piperidin-1-ylethyl 5-chloranyl-4-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]-2-methoxy-benzoate

Systemtic Name: 2-piperidin-1-ylethyl 5-chloranyl-4-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]-2-methoxy-benzoate Openeye Name: 2-(1-piperidyl)ethyl 5-chloro-4-[6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexylamino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]hexylamino]-2-methoxybenzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 5-chloro-4-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-4-[6-(naphthionylamino)hexylamino]benzoic acid 2-piperidinoethyl ester Formula: C33H45ClN4O5S MolecularWeight: 645.2522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCNC3=C(C=C(C(=C3)OC)C(=O)OCCN4CCCCC4)Cl

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCNC3=C(C=C(C(=C3)OC)C(=O)OCCN4CCCCC4)Cl

InChI

InChI=1S/C33H45ClN4O5S/c1-37(2)30-15-11-14-26-25(30)13-12-16-32(26)44(40,41)36-18-8-5-4-7-17-35-29-24-31(42-3)27(23-28(29)34)33(39)43-22-21-38-19-9-6-10-20-38/h11-16,23-24,35-36H,4-10,17-22H2,1-3H3