2-[5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[5-(4-tert-butyl-1-piperidyl)-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-oxo-pentyl]guanidine CAS Name: 2-[5-(4-tert-butyl-1-piperidinyl)-4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-5-oxopentyl]guanidine IUPAC Name: 2-[5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentyl]guanidine Traditional Name: 2-[5-(4-tert-butylpiperidino)-5-keto-4-(naphthionylamino)pentyl]guanidine Formula: C27H42N6O3S MolecularWeight: 530.72578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

Isomeric SMILES

CC(C)(C)C1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

InChI

InChI=1S/C27H42N6O3S/c1-27(2,3)19-14-17-33(18-15-19)25(34)22(11-8-16-30-26(28)29)31-37(35,36)24-13-7-9-20-21(24)10-6-12-23(20)32(4)5/h6-7,9-10,12-13,19,22,31H,8,11,14-18H2,1-5H3,(H4,28,29,30)