5-(1-hexadecyl-6-methylsulfonyl-benzimidazol-2-yl)-2-methoxy-aniline

Systemtic Name: 5-(1-hexadecyl-6-methylsulfonyl-benzimidazol-2-yl)-2-methoxy-aniline Openeye Name: 5-(1-hexadecyl-6-methylsulfonyl-benzimidazol-2-yl)-2-methoxy-aniline CAS Name: 5-(1-hexadecyl-6-methylsulfonyl-2-benzimidazolyl)-2-methoxyaniline IUPAC Name: 5-(1-hexadecyl-6-methylsulfonylbenzimidazol-2-yl)-2-methoxyaniline Traditional Name: [5-(1-cetyl-6-mesyl-benzimidazol-2-yl)-2-methoxy-phenyl]amine Formula: C31H47N3O3S MolecularWeight: 541.78818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(C=CC(=C2)S(=O)(=O)C)N=C1C3=CC(=C(C=C3)OC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(C=CC(=C2)S(=O)(=O)C)N=C1C3=CC(=C(C=C3)OC)N

InChI

InChI=1S/C31H47N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-29-24-26(38(3,35)36)19-20-28(29)33-31(34)25-18-21-30(37-2)27(32)23-25/h18-21,23-24H,4-17,22,32H2,1-3H3