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

Systemtic Name: 2-[(4S)-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-5-piperidin-1-yl-pentyl]-1-nitro-guanidine Openeye Name: 2-[(4S)-4-(1-naphthylsulfonylamino)-5-oxo-5-(1-piperidyl)pentyl]-1-nitro-guanidine CAS Name: 2-[(4S)-4-(1-naphthalenylsulfonylamino)-5-oxo-5-(1-piperidinyl)pentyl]-1-nitroguanidine IUPAC Name: 2-[(4S)-4-(naphthalen-1-ylsulfonylamino)-5-oxo-5-piperidin-1-ylpentyl]-1-nitroguanidine Traditional Name: 2-[(4S)-5-keto-4-(1-naphthylsulfonylamino)-5-piperidino-pentyl]-1-nitro-guanidine Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H28N6O5S/c22-21(24-27(29)30)23-13-7-11-18(20(28)26-14-4-1-5-15-26)25-33(31,32)19-12-6-9-16-8-2-3-10-17(16)19/h2-3,6,8-10,12,18,25H,1,4-5,7,11,13-15H2,(H3,22,23,24)/t18-/m0/s1