2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-azepan-3-yl]propyl]-1-nitro-guanidine

Systemtic Name: 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-azepan-3-yl]propyl]-1-nitro-guanidine Openeye Name: 2-[3-[1-butyl-3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-oxo-azepan-3-yl]propyl]-1-nitro-guanidine CAS Name: 2-[3-[1-butyl-3-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-2-oxo-3-azepanyl]propyl]-1-nitroguanidine IUPAC Name: 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxoazepan-3-yl]propyl]-1-nitroguanidine Traditional Name: 2-[3-[1-butyl-3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-keto-azepan-3-yl]propyl]-1-nitro-guanidine Formula: C26H38N6O7S MolecularWeight: 578.68092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC(C1=O)(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

Isomeric SMILES

CCCCN1CCCCC(C1=O)(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC

InChI

InChI=1S/C26H38N6O7S/c1-4-5-14-31-15-7-6-11-26(24(31)33,12-8-13-28-25(27)29-32(34)35)30-40(36,37)21-10-9-19-17-22(38-2)23(39-3)18-20(19)16-21/h9-10,16-18,30H,4-8,11-15H2,1-3H3,(H3,27,28,29)