4-[2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pyrrolidin-1-yl]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide

Systemtic Name: 4-[2-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pyrrolidin-1-yl]-3-oxidanylidene-3-piperidin-1-yl-propyl]benzenecarboximidamide Openeye Name: 4-[2-[3-(2-naphthylsulfonylamino)-2-oxo-pyrrolidin-1-yl]-3-oxo-3-(1-piperidyl)propyl]benzamidine CAS Name: 4-[2-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-pyrrolidinyl]-3-oxo-3-(1-piperidinyl)propyl]benzenecarboximidamide IUPAC Name: 4-[2-[3-(naphthalen-2-ylsulfonylamino)-2-oxopyrrolidin-1-yl]-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide Traditional Name: 4-[3-keto-2-[2-keto-3-(2-naphthylsulfonylamino)pyrrolidino]-3-piperidino-propyl]benzamidine Formula: C29H33N5O4S MolecularWeight: 547.66842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)N3CCC(C3=O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)N3CCC(C3=O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H33N5O4S/c30-27(31)22-10-8-20(9-11-22)18-26(29(36)33-15-4-1-5-16-33)34-17-14-25(28(34)35)32-39(37,38)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,32H,1,4-5,14-18H2,(H3,30,31)