N-[2-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methylamino]ethyl]naphthalene-2-sulfonamide

Systemtic Name: N-[2-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methylamino]ethyl]naphthalene-2-sulfonamide Openeye Name: N-[2-[[1-[4-(aminomethyl)phenyl]-4-piperidyl]methylamino]ethyl]naphthalene-2-sulfonamide CAS Name: N-[2-[[1-[4-(aminomethyl)phenyl]-4-piperidinyl]methylamino]ethyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methylamino]ethyl]naphthalene-2-sulfonamide Traditional Name: N-[2-[[1-[4-(aminomethyl)phenyl]-4-piperidyl]methylamino]ethyl]naphthalene-2-sulfonamide Formula: C25H32N4O2S MolecularWeight: 452.61218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)CN

Isomeric SMILES

C1CN(CCC1CNCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)CN

InChI

InChI=1S/C25H32N4O2S/c26-18-20-5-8-24(9-6-20)29-15-11-21(12-16-29)19-27-13-14-28-32(30,31)25-10-7-22-3-1-2-4-23(22)17-25/h1-10,17,21,27-28H,11-16,18-19,26H2