2-[(4S)-5-(4-ethanoylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-pentyl]-1-nitro-guanidine

Systemtic Name: 2-[(4S)-5-(4-ethanoylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-pentyl]-1-nitro-guanidine Openeye Name: 2-[(4S)-5-(4-acetylpiperazin-1-yl)-4-(1-naphthylsulfonylamino)-5-oxo-pentyl]-1-nitro-guanidine CAS Name: 2-[(4S)-5-(4-acetyl-1-piperazinyl)-4-(1-naphthalenylsulfonylamino)-5-oxopentyl]-1-nitroguanidine IUPAC Name: 2-[(4S)-5-(4-acetylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonylamino)-5-oxopentyl]-1-nitroguanidine Traditional Name: 2-[(4S)-5-(4-acetylpiperazino)-5-keto-4-(1-naphthylsulfonylamino)pentyl]-1-nitro-guanidine Formula: C22H29N7O6S MolecularWeight: 519.57396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H29N7O6S/c1-16(30)27-12-14-28(15-13-27)21(31)19(9-5-11-24-22(23)25-29(32)33)26-36(34,35)20-10-4-7-17-6-2-3-8-18(17)20/h2-4,6-8,10,19,26H,5,9,11-15H2,1H3,(H3,23,24,25)/t19-/m0/s1